Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9543056649-0
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 | 5 USD | 99 | 8 working days | Get Quote |
| 5 mg | 5 USD | 99 | 8 working days | Get Quote |
| 10 mg | 5 USD | 99 | 8 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-2363896855-0
- Component type: Main
-
1
MCULE-5889111640-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9543056649-0.sdf |
| SMILES | MCULE-9543056649-0.smiles |
| Standard InChI | MCULE-9543056649-0.inchi |
| InChIKey | MCULE-9543056649-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-873213935 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-22496227 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 1000 mg |
| P-892859799 | A2B Chem | Predominantly Building Block in stock | 93 | Main component | in stock |
| P-867431185 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
| P-890152317 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-675062138 | Alinda | Stock Screening Compounds | 90 | Main component | in stock |
| P-865915899 | Angene | Building Blocks in stock | 93 | Main component | 200 mg |
| P-889849121 | AstaTech | Backordered BBs | 95 | Main component | by synthesis |
| P-893624631 | Combi-Blocks | Building Block on demand | 95 | Main component | by synthesis |
| P-588250902 | Manchester Organics | Compounds on demand | N/A | Main component | by synthesis |
| P-895200017 | MedChemExpress | Screening compounds on demand | 95 | Main component | by synthesis |
| P-888666427 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-889852955 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
| P-892254561 | TargetMol | Screening Compounds - synthesis | 95 | Main component | by synthesis |
| P-892339226 | TargetMol | Screening Compounds - stock amount | 95 | Main component | unavailable |
| P-855211634 | Toronto Research | In stock | 90 | Main component | in stock |
| P-852060781 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | Main component | 4.981 g |
| P-852026597 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 4.981 g |
| P-867586114 | A2B Chem | Predominantly Building Block in stock | 99 | Main component as a main component | in stock |
| P-875744277 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
| P-869184541 | AK Scientific | Building Blocks | 95 | Main component as a main component | in stock |
| P-505354359 | AK Scientific | Building Blocks | 98 | Main component as a main component | in stock |
| P-505389168 | AK Scientific | Building Blocks | 99 | Main component as a main component | in stock |
| P-606931199 | AmBeed | In stock | N/A | Main component as a main component | in stock |
| P-596984049 | Angene | Building Blocks in stock | 99 | Main component as a main component | 200 g |
| P-864182432 | AstaTech | In Stock BBs | 95 | Main component as a main component | in stock |
| P-580696486 | BLD pharm | In-stock building blocks | 99 | Main component as a main component | 3.13 kg |
| P-893225023 | Biosynth | In Stock | 95 | Main component as a main component | in stock |
| P-851268200 | Chemshuttle | On request catalog | 95 | Main component as a main component | by synthesis |
| P-868613485 | Combi-Blocks | Building Block in stock | 98 | Main component as a main component | in stock |
| P-608494914 | DC Chemicals Limited | Stock Products | 95 | Main component as a main component | in stock |
| P-870659480 | Glentham Life Sciences | Compounds typically in stock | N/A | Main component as a main component | in stock |
| P-870660326 | Glentham Life Sciences | Compounds typically in stock | 98 | Main component as a main component | in stock |
| P-505493650 | Hangzhou Apichem | Building Blocks in stock | 95 | Main component as a main component | in stock |
| P-854062341 | InterBioScreen | Building Blocks | 90 | Main component as a main component | in stock |
| P-854376881 | InterBioScreen | Screening Compounds | 92 | Main component as a main component | 300 mg |
| P-131289524 | Life Chemicals | Screening Compounds | 90 | Main component as a main component | in stock |
| P-896627183 | MedChemExpress | Screening compounds on demand | 95 | Main component as a main component | by synthesis |
| P-854720091 | MedChemExpress | Screening compounds In stock | 95 | Main component as a main component | in stock |
| P-474022296 | MedKoo | In stock compounds | 95 | Main component as a main component | in stock |
| P-608270105 | Molnova | Stock | 98 | Main component as a main component | in stock |
| P-454366483 | Pharmeks LLC | Building Blocks | 92 | Main component as a main component | in stock |
| P-674641143 | Pharmeks LLC | Synthetic compounds | 92 | Main component as a main component | 300 mg |
| P-500390635 | Pi Chemicals | Virtual Compounds | 99 | Main component as a main component | by synthesis |
| P-885534975 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component as a main component | by synthesis |
| P-579710454 | Selleckchem | Product Catalog | N/A | Main component as a main component | in stock |
| P-869119377 | TargetMol | Screening Compounds - synthesis | 95 | Main component as a main component | by synthesis |
| P-892289146 | TargetMol | In Stock BB | 95 | Main component as a main component | unavailable |
| P-888634302 | TargetMol | Screening Compounds - stock amount | 95 | Main component as a main component | 200 mg |
| P-873215808 | TimTec | Building Block Collection | 90 | Main component as a main component | in stock |
| P-611469889 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 392.874 |
| logP | 3.7544 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 8 |
| PSA | 90.73 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 105.7096 |
| Atoms | 52 |
| Rings | 2 |
| Heavy atoms | 27 |
| Hydrogen atoms | 25 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
