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MCULE-3454983009
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 | 70 USD | 90 | 22 working days | Get Quote |
| 5 mg | 195 USD | 92 | 15 working days | Get Quote |
| 10 mg | 195 USD | 92 | 15 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-3454983009.sdf |
| SMILES | MCULE-3454983009.smiles |
| Standard InChI | MCULE-3454983009.inchi |
| InChIKey | MCULE-3454983009.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-892979073 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-596279831 | Asinex | General screening catalog | 90 | As is | 13 mg |
| P-427974152 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 1 mg |
| P-492218597 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-502712661 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-502485803 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-503491600 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-13430408 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
| P-621709736 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
| P-23030084 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-888361292 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 288.751 |
| logP | 3.1933 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 83.65 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 70.2264 |
| Atoms | 31 |
| Rings | 2 |
| Heavy atoms | 18 |
| Hydrogen atoms | 13 |
| Heteroatoms | 7 |
| 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 |
