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MCULE-4117121863-0
Structure
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- InChIKey:
- SMILES:
- InChI:
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| Amount | Price
 Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
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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 | 260 USD | 90 | 9 working days | Get Quote |
| 5 mg | 260 USD | 90 | 9 working days | Get Quote |
| 10 mg | 260 USD | 90 | 9 working days | Get Quote |
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MCULE-7583665513-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4117121863-0.sdf |
| SMILES | MCULE-4117121863-0.smiles |
| Standard InChI | MCULE-4117121863-0.inchi |
| InChIKey | MCULE-4117121863-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-675256526 | Innovapharm | Virtual Building Blocks | 95 | As a main component | by synthesis |
| P-675515296 | Innovapharm | Virtual Screening Compounds | 90 | As a main component | by synthesis |
| P-675344359 | Innovapharm | Screening Compounds | 90 | As a main component | in stock |
| P-675486025 | Innovapharm | Building Blocks | 95 | As a main component | in stock |
| P-896153778 | Specs | Screening Compounds | 90 | As a main component | 13 mg |
| P-873218275 | TimTec | Building Block Collection | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 213.250 |
| logP | 0.3518 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 66.43 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 53.4715 |
| Atoms | 32 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 17 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
