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MCULE-8601004895
Compound
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- 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 | 74 USD | 85 | 9 working days | Get Quote |
| 5 mg | 74 USD | 85 | 9 working days | Get Quote |
| 10 mg | 130 USD | 90 | 27 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-8601004895.sdf |
| SMILES | MCULE-8601004895.smiles |
| Standard InChI | MCULE-8601004895.inchi |
| InChIKey | MCULE-8601004895.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-504718101 | ChemBridge | RUSH - EXPRESS PICK LIBRARY | 85 | As is | 5 mg |
| P-619307203 | ChemDiv | Discovery Chemistry Library | 90 | As is | 6 mg |
| P-34580817 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-24001957 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-22743415 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 250.268 |
| logP | 1.6714 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 50.69 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 69.1917 |
| Atoms | 33 |
| Rings | 2 |
| Heavy atoms | 18 |
| Hydrogen atoms | 15 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
