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MCULE-9161982222
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 | 34 USD | 90 | 19 working days | Get Quote |
| 5 mg | 51 USD | 90 | 19 working days | Get Quote |
| 10 mg | 65 USD | 90 | 19 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-9161982222.sdf |
| SMILES | MCULE-9161982222.smiles |
| Standard InChI | MCULE-9161982222.inchi |
| InChIKey | MCULE-9161982222.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-4846567 | ChemDiv | Discovery Chemistry Library | 90 | As is | 2 mg |
| P-34571464 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
| P-23997082 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-22568377 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-1860069 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 38 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 408.832 |
| logP | 4.7226 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 8 |
| PSA | 76.99 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 110.5127 |
| Atoms | 46 |
| Rings | 3 |
| Heavy atoms | 29 |
| Hydrogen atoms | 17 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
