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MCULE-9464098701-0
Structure
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| 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 | 33 USD | 90 | 19 working days | Get Quote |
| 5 mg | 49 USD | 90 | 19 working days | Get Quote |
| 10 mg | 63 USD | 90 | 19 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-9464098701-0.sdf |
| SMILES | MCULE-9464098701-0.smiles |
| Standard InChI | MCULE-9464098701-0.inchi |
| InChIKey | MCULE-9464098701-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-596304917 | Asinex | General screening catalog | 90 | As is | 85 mg |
| P-3679281 | ChemDiv | Discovery Chemistry Library | 90 | As is | 60 mg |
| P-524193825 | Key Organics | Building Blocks | 97 | As is | 500 mg |
| P-19098051 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885540647 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-22508742 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 1 mg |
| P-825073 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 12.842 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 461.494 |
| logP | 1.0806 |
| H-bond acceptors | 11 |
| H-bond donors | 4 |
| Rotatable bonds | 8 |
| PSA | 173.45 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 124.4779 |
| Atoms | 55 |
| Rings | 4 |
| Heavy atoms | 32 |
| Hydrogen atoms | 23 |
| Heteroatoms | 12 |
| N/O atoms | 11 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 4 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
