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MCULE-4702278048
Compound
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- InChIKey:
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- 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.
|
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 | 39 USD | 90 | 19 working days | Get Quote |
| 5 mg | 57 USD | 90 | 19 working days | Get Quote |
| 10 mg | 72 USD | 90 | 19 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4702278048.sdf |
| SMILES | MCULE-4702278048.smiles |
| Standard InChI | MCULE-4702278048.inchi |
| InChIKey | MCULE-4702278048.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-425490201 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-6230816 | ChemDiv | Discovery Chemistry Library | 90 | As is | 189 mg |
| P-503466221 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-502800323 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-13086456 | Otava | In-House Stock Library | 90 | As is | 50 mg |
| P-19153879 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-903637305 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-1587596 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 100 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 446.494 |
| logP | 3.5968 |
| H-bond acceptors | 7 |
| H-bond donors | 0 |
| Rotatable bonds | 6 |
| PSA | 80.06 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 132.0255 |
| Atoms | 59 |
| Rings | 5 |
| Heavy atoms | 33 |
| Hydrogen atoms | 26 |
| Heteroatoms | 7 |
| 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 |
