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MCULE-5330465754
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 | 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-5330465754.sdf |
| SMILES | MCULE-5330465754.smiles |
| Standard InChI | MCULE-5330465754.inchi |
| InChIKey | MCULE-5330465754.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-619279425 | ChemDiv | Discovery Chemistry Library | 90 | As is | 27 mg |
| P-34795044 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-504513019 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-24080589 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-519967446 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-453976936 | Specs | Screening Compounds | 90 | As is | 6 mg |
| P-22470831 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 23 mg |
| P-1859208 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 54 mg |
| P-35080569 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 383 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 418.851 |
| logP | 4.0324 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 122.52 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 111.8435 |
| Atoms | 43 |
| Rings | 3 |
| Heavy atoms | 28 |
| Hydrogen atoms | 15 |
| Heteroatoms | 9 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 2 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
