Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8767043088
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 | 35 USD | 90 | 17 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-8767043088.sdf |
| SMILES | MCULE-8767043088.smiles |
| Standard InChI | MCULE-8767043088.inchi |
| InChIKey | MCULE-8767043088.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-852136685 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
| P-889950439 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-894667597 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-436451905 | Alinda | Building Blocks | 95 | As is | in stock |
| P-34859577 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-864272709 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-4519127 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 25 mg |
| P-619927510 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
| P-580762693 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
| P-502864932 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-855971491 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
| P-852406116 | Matrix Scientific | All | N/A | As is | in stock |
| P-854908570 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-12440721 | Otava | In-House Stock Library | 90 | As is | 50 mg |
| P-19065496 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-12299644 | Specs | Screening Compounds | 90 | As is | 66 mg |
| P-873219505 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-22519367 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 110 mg |
| P-855353709 | Toronto Research | In stock | 90 | As is | in stock |
| P-3242827 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As is | 373 mg |
| P-886940742 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 218.212 |
| logP | 0.839 |
| H-bond acceptors | 6 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 69.9 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 55.2405 |
| Atoms | 26 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 10 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 |
