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MCULE-3115338962
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 | 89 USD | 90 | 17 working days | Get Quote |
| 5 mg | 97 USD | 90 | 17 working days | Get Quote |
| 10 mg | 130 USD | 90 | 27 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-3115338962.sdf |
| SMILES | MCULE-3115338962.smiles |
| Standard InChI | MCULE-3115338962.inchi |
| InChIKey | MCULE-3115338962.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-885910388 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
| P-889932788 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-4472441 | ChemDiv | Discovery Chemistry Library | 90 | As is | 26 mg |
| P-502658863 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-503061845 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-18874492 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-12375221 | Specs | Screening Compounds | 90 | As is | 55 mg |
| P-888224979 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 7 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 407.508 |
| logP | 3.7903 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 92.25 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 119.0499 |
| Atoms | 59 |
| Rings | 4 |
| Heavy atoms | 30 |
| Hydrogen atoms | 29 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| 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 |
