Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7114790803
Compound
Show structure
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 | 8 USD | 95 | 20 working days | Get Quote |
| 5 mg | 8 USD | 95 | 20 working days | Get Quote |
| 10 mg | 8 USD | 95 | 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-9657014918
- Component type: Main
-
1
MCULE-6872461833
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-7114790803.sdf |
| SMILES | MCULE-7114790803.smiles |
| Standard InChI | MCULE-7114790803.inchi |
| InChIKey | MCULE-7114790803.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-504022411 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-867626612 | A2B Chem | Predominantly Building Block in stock | 96 | Main component | in stock |
| P-875789732 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-869189010 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-575539252 | AK Scientific | Building Blocks | 98 | Main component | in stock |
| P-893550821 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component | 1.08786 kg |
| P-596965641 | Angene | Building Blocks in stock | 95 | Main component | 784.642 g |
| P-596467235 | Asinex | General screening catalog | 90 | Main component | 43 mg |
| P-596518319 | Asinex | General bb catalog | 90 | Main component | 43 mg |
| P-889457920 | AstaTech | Backordered BBs | 95 | Main component | by synthesis |
| P-889744225 | Atlantic Research Chemicals Ltd | In-stock Building Blocks | 95 | Main component | 13.25 g |
| P-868598046 | Combi-Blocks | Building Block in stock | 96 | Main component | in stock |
| P-494300344 | Frinton Laboratories | Frinton Building Blocks | 98 | Main component | in stock |
| P-492222959 | Innovapharm | Building Blocks | 95 | Main component | in stock |
| P-524196493 | Key Organics | Building Blocks | 95 | Main component | 5 g |
| P-615651547 | LabNetwork | In stock | 95 | Main component | in stock |
| P-852403047 | Matrix Scientific | All | N/A | Main component | in stock |
| P-855397952 | MedChemExpress | In stock Building Blocks | 95 | Main component | in stock |
| P-12914707 | Otava | In-House Stock Library | 90 | Main component | 28 g |
| P-492284742 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | Main component | 28 g |
| P-856065601 | Princeton Biomolecular Research | Building Block Stock | 95 | Main component | 13.9 g |
| P-424825640 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-596759025 | Synthonix | In-stock Building Blocks | 95 | Main component | 882.79 g |
| P-23339648 | TimTec | ActiMol 6 Week | 90 | Main component | in stock |
| P-502332458 | TimTec | Building Block Collection | 90 | Main component | in stock |
| P-611350447 | Toronto Research | In stock | 90 | Main component | in stock |
| P-1110965 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 117 mg |
| P-893964361 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component | in stock |
| P-504021590 | Innovapharm | Virtual Screening Compounds | 90 | Main component as a main component | by synthesis |
| P-504022009 | Innovapharm | Virtual Screening Compounds | 90 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 220.603 |
| logP | 1.2489 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 5 |
| PSA | 49.36 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 52.1945 |
| Atoms | 25 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 10 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| Inorganic atoms | 1 |
| Halogen atoms | 1 |
| 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 |
