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MCULE-5231721949
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 | 76 USD | 90 | 22 working days | Get Quote |
| 5 mg | 98 USD | 90 | 22 working days | Get Quote |
| 10 mg | 123 USD | 90 | 22 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-5231721949.sdf |
| SMILES | MCULE-5231721949.smiles |
| Standard InChI | MCULE-5231721949.inchi |
| InChIKey | MCULE-5231721949.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-596444112 | Asinex | General screening catalog | 90 | As is | 82 mg |
| P-596496157 | Asinex | General bb catalog | 90 | As is | 82 mg |
| P-4061775 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 25 mg |
| P-619860352 | ChemDiv | Discovery Chemistry Library | 90 | As is | 2 mg |
| P-34551180 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-12923829 | Specs | Screening Compounds | 90 | As is | 66 mg |
| P-22724099 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-873096976 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-873060252 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 282.721 |
| logP | 1.4221 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 59.92 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 75.3287 |
| Atoms | 34 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 15 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| 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 |
