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MCULE-4413388046
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 | 46 USD | 90 | 21 working days | Get Quote |
| 5 mg | 46 USD | 90 | 21 working days | Get Quote |
| 10 mg | 54 USD | 90 | 21 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4413388046.sdf |
| SMILES | MCULE-4413388046.smiles |
| Standard InChI | MCULE-4413388046.inchi |
| InChIKey | MCULE-4413388046.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-612662154 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-517106916 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-4900446 | ChemDiv | Discovery Chemistry Library | 90 | As is | 77 mg |
| P-34669176 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-24024587 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-454105251 | Specs | Screening Compounds | 90 | As is | 19 mg |
| P-902724156 | Specs | Natural Products | 80 | As is | 19 mg |
| P-33441921 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-1864669 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 110 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 469.534 |
| logP | 4.9954 |
| H-bond acceptors | 8 |
| H-bond donors | 0 |
| Rotatable bonds | 6 |
| PSA | 84.97 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 149.742 |
| Atoms | 62 |
| Rings | 5 |
| Heavy atoms | 35 |
| Hydrogen atoms | 27 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
