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MCULE-7052209118
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 | 44 USD | 90 | 21 working days | Get Quote |
| 5 mg | 71 USD | 90 | 21 working days | Get Quote |
| 10 mg | 86 USD | 90 | 21 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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| Name | File |
|---|---|
| SDF | MCULE-7052209118.sdf |
| SMILES | MCULE-7052209118.smiles |
| Standard InChI | MCULE-7052209118.inchi |
| InChIKey | MCULE-7052209118.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-869705807 | Asinex | General screening catalog | 90 | As is | 19 mg |
| P-12894000 | Otava | In-House Stock Library | 90 | As is | 640 mg |
| P-617701278 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 640 mg |
| P-23545633 | Specs | Screening Compounds | 90 | As is | unavailable |
| P-888375015 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 387.455 |
| logP | 2.0617 |
| H-bond acceptors | 7 |
| H-bond donors | 3 |
| Rotatable bonds | 6 |
| PSA | 132.69 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 106.1918 |
| Atoms | 48 |
| Rings | 3 |
| Heavy atoms | 27 |
| Hydrogen atoms | 21 |
| Heteroatoms | 8 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
