Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9653779424-0
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 | 34 USD | 90 | 19 working days | Get Quote |
| 5 mg | 35 USD | 90 | 17 working days | Get Quote |
| 10 mg | 41 USD | 90 | 17 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.
| Name | File |
|---|---|
| SDF | MCULE-9653779424-0.sdf |
| SMILES | MCULE-9653779424-0.smiles |
| Standard InChI | MCULE-9653779424-0.inchi |
| InChIKey | MCULE-9653779424-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-860614870 | A2B Chem | Predominantly Building Block on demand | 97 | As is | by synthesis |
| P-889931999 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-894642496 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-610979086 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 18.5 g |
| P-34887660 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-436472866 | Alinda | Building Blocks | 95 | As is | in stock |
| P-851911019 | AmBeed | On request | N/A | As is | by synthesis |
| P-873295986 | Angene | Building Blocks in stock | 97 | As is | 5 g |
| P-889776588 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-591167598 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-454731596 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-15146015 | ChemDiv | Discovery Chemistry Library | 90 | As is | 7 mg |
| P-308321 | Chemical Block | Screening Library | 90 | As is | 172 mg |
| P-887161703 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-34719979 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
| P-502581183 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-608120778 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
| P-852532831 | Matrix Scientific | All | N/A | As is | in stock |
| P-854891620 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-617659685 | Otava | In-House Stock Library | 90 | As is | 610 mg |
| P-19636491 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-896081153 | Specs | Repurposed Compounds | N/A | As is | 60 mg |
| P-873228695 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-22521180 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 39 mg |
| P-1872975 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 140 mg |
| P-886898229 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 207.225 |
| logP | 1.7352 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 66.4 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 57.1065 |
| Atoms | 28 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 13 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
