Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8744844688-0
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 | 13 USD | 97 | 11 working days | Get Quote |
| 5 mg | 13 USD | 97 | 11 working days | Get Quote |
| 10 mg | 13 USD | 97 | 11 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-9142367404-0
- Component type: Main
-
1
MCULE-9920754312-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8744844688-0.sdf |
| SMILES | MCULE-8744844688-0.smiles |
| Standard InChI | MCULE-8744844688-0.inchi |
| InChIKey | MCULE-8744844688-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867569124 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-505354718 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-535624608 | AK Scientific | Building Blocks | 99 | As is | in stock |
| P-889564144 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-893237951 | Biosynth | In Stock | 95 | As is | in stock |
| P-870653042 | Glentham Life Sciences | Compounds typically in stock | 98 | As is | in stock |
| P-505507807 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-890851242 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-524442401 | Key Organics | Biochemicals | 97 | As is | 502 mg |
| P-881187986 | Otava | In-House Stock Library | 90 | As is | 300 mg |
| P-500375602 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-617402971 | Selleckchem | Product Catalog | N/A | As is | in stock |
| P-869111331 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892287753 | TargetMol | In Stock BB | 95 | As is | 295 mg |
| P-888629290 | TargetMol | Screening Compounds - stock amount | 95 | As is | 295 mg |
| P-611442452 | Toronto Research | In stock | 90 | As is | in stock |
| P-867660222 | A2B Chem | Predominantly Building Block in stock | 98 | Main component | in stock |
| P-875828764 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-505354717 | AK Scientific | Building Blocks | 98 | Main component | in stock |
| P-881671802 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-617065613 | Allbio Pharm | In stock | N/A | Main component | in stock |
| P-489191928 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component | in stock |
| P-864198690 | AstaTech | In Stock BBs | 95 | Main component | in stock |
| P-851278273 | Chemshuttle | On request catalog | 95 | Main component | by synthesis |
| P-868592699 | Combi-Blocks | Building Block in stock | 97 | Main component | in stock |
| P-505507804 | Hangzhou Apichem | Building Blocks in stock | 95 | Main component | in stock |
| P-488555531 | InterBioScreen | Bioactive compounds | 92 | Main component | in stock |
| P-488553553 | InterBioScreen | Building Blocks | 90 | Main component | in stock |
| P-524444096 | Key Organics | Biochemicals | 97 | Main component | 100 mg |
| P-896627745 | MedChemExpress | Screening compounds on demand | 95 | Main component | by synthesis |
| P-895183094 | MedChemExpress | Screening compounds In stock | 95 | Main component | in stock |
| P-608275188 | Molnova | Stock | 98 | Main component | in stock |
| P-454373448 | Pharmeks LLC | Building Blocks | 92 | Main component | in stock |
| P-13786783 | Pharmeks LLC | Synthetic compounds | 92 | Main component | 300 mg |
| P-500375610 | Pi Chemicals | Virtual Compounds | 98 | Main component | by synthesis |
| P-520010029 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-885528933 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
| P-579710653 | Selleckchem | Product Catalog | N/A | Main component | in stock |
| P-869108172 | TargetMol | Screening Compounds - synthesis | 95 | Main component | by synthesis |
| P-892286854 | TargetMol | In Stock BB | 95 | Main component | unavailable |
| P-888627208 | TargetMol | Screening Compounds - stock amount | 95 | Main component | 4.889 g |
| P-33163109 | TimTec | ActiMol 1 Week - Stock | 90 | Main component | 1000 mg |
| P-611513070 | Toronto Research | In stock | 90 | Main component | in stock |
| P-2007755 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 117 mg |
| P-875729176 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
| P-861433108 | Combi-Blocks | Building Block on demand | 95 | Main component as a main component | by synthesis |
| P-896626486 | MedChemExpress | Screening compounds on demand | 95 | Main component as a main component | by synthesis |
| P-854717933 | MedChemExpress | Screening compounds In stock | 95 | Main component as a main component | in stock |
| P-584626867 | MedKoo | In stock compounds | 95 | Main component as a main component | in stock |
| P-608274970 | Molnova | Stock | 98 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 503.540 |
| logP | 3.4481 |
| H-bond acceptors | 10 |
| H-bond donors | 2 |
| Rotatable bonds | 12 |
| PSA | 131.83 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 132.9101 |
| Atoms | 69 |
| Rings | 2 |
| Heavy atoms | 36 |
| Hydrogen atoms | 33 |
| Heteroatoms | 10 |
| N/O atoms | 10 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
