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MCULE-3621251431
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 | 89 USD | 90 | 17 working days | Get Quote |
| 5 mg | 234 USD | 90 | 8 working days | Get Quote |
| 10 mg | 260 USD | 90 | 9 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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| Name | File |
|---|---|
| SDF | MCULE-3621251431.sdf |
| SMILES | MCULE-3621251431.smiles |
| Standard InChI | MCULE-3621251431.inchi |
| InChIKey | MCULE-3621251431.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-596382026 | Asinex | General screening catalog | 90 | As is | 121 mg |
| P-584551239 | ChemDiv | Discovery Chemistry Library | 90 | As is | 1 mg |
| P-134198 | Chemical Block | Screening Library | 90 | As is | unavailable |
| P-12415435 | Specs | Screening Compounds | 90 | As is | 23 mg |
| P-22490933 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 37 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 411.446 |
| logP | 3.2565 |
| H-bond acceptors | 7 |
| H-bond donors | 1 |
| Rotatable bonds | 9 |
| PSA | 85.3 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 114.8363 |
| Atoms | 55 |
| Rings | 3 |
| Heavy atoms | 30 |
| Hydrogen atoms | 25 |
| 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 |
