Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9444190460-0
Structure
Show compound
In order to add this molecule to a collection you have to create an account.
Sign up for free
- InChIKey:
- SMILES:
- InChI:
- Formula:
| Amount | Price
 Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
|---|---|---|---|---|
| 1 mg | 7 USD | 99 | 20 working days | Get Quote |
| 5 mg | 7 USD | 99 | 20 working days | Get Quote |
| 10 mg | 7 USD | 99 | 20 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
-
1
MCULE-6537319758-0
- Component type: Main
-
1
MCULE-5852208511-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9444190460-0.sdf |
| SMILES | MCULE-9444190460-0.smiles |
| Standard InChI | MCULE-9444190460-0.inchi |
| InChIKey | MCULE-9444190460-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867292835 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-893147206 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
| P-867596576 | A2B Chem | Predominantly Building Block in stock | 98 | Main component | in stock |
| P-875755350 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-590372024 | AK Scientific | Building Blocks | 98 | Main component | in stock |
| P-580237296 | Aldlab Chemicals | Building Block Custom Synth | 95 | Main component | by synthesis |
| P-489156649 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component | in stock |
| P-596958412 | Angene | Building Blocks in stock | 99 | Main component | 2.425 kg |
| P-872728254 | Apexbio Technology | Bioactive Compound Library | 98 | Main component | in stock |
| P-579785211 | Apollo Scientific | On request | 95 | Main component | by resynthesis (? - ? days) |
| P-864102793 | AstaTech | In Stock BBs | 98 | Main component | in stock |
| P-868606075 | Combi-Blocks | Building Block in stock | 98 | Main component | in stock |
| P-862010598 | FluoroChem | General BB | 95 | Main component | in stock |
| P-608220554 | Glentham Life Sciences | Compounds maintained in stock | 95 | Main component | in stock |
| P-870662355 | Glentham Life Sciences | Compounds maintained in stock | 98 | Main component | in stock |
| P-500417724 | Glentham Life Sciences | Compounds maintained in stock | 98 | Main component | in stock |
| P-579617281 | LabSeeker, Inc | Stock Collection | 95 | Main component | in stock |
| P-579631466 | LabSeeker, Inc | On demand Catalog | 98 | Main component | by resynthesis (? - ? days) |
| P-31248880 | LaboTest | Screening Collection | 90 | Main component | unavailable |
| P-588254514 | Manchester Organics | Compounds on demand | N/A | Main component | by synthesis |
| P-852505201 | Matrix Scientific | All | N/A | Main component | in stock |
| P-854690511 | MedChemExpress | Natural Products In stock | 95 | Main component | in stock |
| P-608279964 | Molnova | Stock | 98 | Main component | in stock |
| P-500378195 | Pi Chemicals | Virtual Compounds | 98 | Main component | by synthesis |
| P-19546812 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-885519659 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
| P-892302530 | TargetMol | Natural Products | 95 | Main component | in stock |
| P-869124201 | TargetMol | Screening Compounds - synthesis | 95 | Main component | by synthesis |
| P-888638065 | TargetMol | Screening Compounds - stock amount | 95 | Main component | unavailable |
| P-611350890 | Toronto Research | In stock | 90 | Main component | in stock |
| P-3218209 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | Main component | 4.186 g |
| P-1211795 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 4.186 g |
| P-893682818 | eNovation Chemicals LLC | Building Block on demand | 95 | Main component | by synthesis |
| P-893938168 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component | in stock |
| P-893135388 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
| P-893136422 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
| P-892939829 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
| P-893137088 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
| P-893137089 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
| P-893136651 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
| P-893136669 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
| P-893137185 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
| P-893135693 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
| P-893135714 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
| P-867586491 | A2B Chem | Predominantly Building Block in stock | 98 | Main component as a main component | in stock |
| P-612922386 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
| P-867523994 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
| P-875745211 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
| P-505388619 | AK Scientific | Building Blocks | 98 | Main component as a main component | in stock |
| P-889055387 | AK Scientific | Building Blocks | 95 | Main component as a main component | in stock |
| P-590374333 | AK Scientific | Building Blocks | 95 | Main component as a main component | in stock |
| P-580241152 | Aldlab Chemicals | Building Block Custom Synth | 95 | Main component as a main component | by synthesis |
| P-851943999 | AmBeed | In stock | N/A | Main component as a main component | in stock |
| P-489242065 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component as a main component | in stock |
| P-596984162 | Angene | Building Blocks in stock | 98 | Main component as a main component | 456 g |
| P-864197771 | AstaTech | In Stock BBs | 95 | Main component as a main component | in stock |
| P-666962621 | BLD pharm | In-stock building blocks | 98 | Main component as a main component | 136 g |
| P-893235773 | Biosynth | In Stock | 95 | Main component as a main component | in stock |
| P-893232709 | Biosynth | In Stock | 95 | Main component as a main component | in stock |
| P-868598153 | Combi-Blocks | Building Block in stock | 98 | Main component as a main component | in stock |
| P-868617268 | Combi-Blocks | Building Block in stock | 98 | Main component as a main component | in stock |
| P-862002112 | FluoroChem | General BB | 98 | Main component as a main component | in stock |
| P-889436973 | FluoroChem | General BB | 98 | Main component as a main component | in stock |
| P-870662353 | Glentham Life Sciences | Compounds maintained in stock | 98 | Main component as a main component | in stock |
| P-608220280 | Glentham Life Sciences | Compounds maintained in stock | 98 | Main component as a main component | in stock |
| P-870662379 | Glentham Life Sciences | Compounds maintained in stock | 98 | Main component as a main component | in stock |
| P-500417726 | Glentham Life Sciences | Compounds maintained in stock | 99 | Main component as a main component | in stock |
| P-608220555 | Glentham Life Sciences | Compounds maintained in stock | 98 | Main component as a main component | in stock |
| P-870647509 | Glentham Life Sciences | Compounds typically in stock | N/A | Main component as a main component | in stock |
| P-870648139 | Glentham Life Sciences | Compounds typically in stock | 98 | Main component as a main component | in stock |
| P-890852779 | Innovapharm | Screening Compounds | 90 | Main component as a main component | in stock |
| P-675446415 | Innovapharm | Screening Compounds | 90 | Main component as a main component | in stock |
| P-579613224 | LabSeeker, Inc | Stock Collection | 95 | Main component as a main component | in stock |
| P-31249821 | LaboTest | Screening Collection | 90 | Main component as a main component | unavailable |
| P-31248881 | LaboTest | Screening Collection | 90 | Main component as a main component | unavailable |
| P-613276766 | Life Chemicals | Building Blocks - virtual | 95 | Main component as a main component | by synthesis |
| P-852444678 | Matrix Scientific | All | N/A | Main component as a main component | in stock |
| P-872527091 | MedChemExpress | Building Blocks in stock | 95 | Main component as a main component | in stock |
| P-620227091 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | Main component as a main component | 1000 mg |
| P-26461794 | Otava | In-House Stock Library | 90 | Main component as a main component | 50 mg |
| P-885542514 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component as a main component | by synthesis |
| P-885550423 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component as a main component | by synthesis |
| P-885550424 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component as a main component | by synthesis |
| P-892263012 | TargetMol | Screening Compounds - synthesis | 95 | Main component as a main component | by synthesis |
| P-892261328 | TargetMol | Screening Compounds - synthesis | 95 | Main component as a main component | by synthesis |
| P-892344365 | TargetMol | Screening Compounds - stock amount | 95 | Main component as a main component | unavailable |
| P-892342761 | TargetMol | Screening Compounds - stock amount | 95 | Main component as a main component | unavailable |
| P-23117924 | TimTec | ActiMol 2 Week | 90 | Main component as a main component | in stock |
| P-611350891 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
| P-611350892 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
| P-615406119 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component as a main component | in stock |
| P-615433648 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 280.275 |
| logP | -0.1655 |
| H-bond acceptors | 9 |
| H-bond donors | 6 |
| Rotatable bonds | 8 |
| PSA | 184.17 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 64.19 |
| Atoms | 39 |
| Rings | 0 |
| Heavy atoms | 19 |
| Hydrogen atoms | 20 |
| Heteroatoms | 9 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
