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MCULE-4622056163
Compound
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- InChIKey:
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- 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 | 17 working days | Get Quote |
| 5 mg | 51 USD | 90 | 17 working days | Get Quote |
| 10 mg | 65 USD | 90 | 17 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4622056163.sdf |
| SMILES | MCULE-4622056163.smiles |
| Standard InChI | MCULE-4622056163.inchi |
| InChIKey | MCULE-4622056163.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-596425416 | Asinex | General screening catalog | 90 | As is | 112 mg |
| P-502667566 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-503051147 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-12613494 | Otava | In-House Stock Library | 90 | As is | 50 mg |
| P-18989555 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-873068417 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-22974541 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-2303796 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 92 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 444.478 |
| logP | 4.129 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 99.96 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 127.0753 |
| Atoms | 57 |
| Rings | 4 |
| Heavy atoms | 33 |
| Hydrogen atoms | 24 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
