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MCULE-5681231647
Compound
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- InChIKey:
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- 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 | 35 USD | 90 | 19 working days | Get Quote |
| 5 mg | 52 USD | 90 | 19 working days | Get Quote |
| 10 mg | 66 USD | 90 | 19 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-5681231647.sdf |
| SMILES | MCULE-5681231647.smiles |
| Standard InChI | MCULE-5681231647.inchi |
| InChIKey | MCULE-5681231647.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-584580316 | ChemDiv | Discovery Chemistry Library | 90 | As is | 8 mg |
| P-290386 | Chemical Block | Screening Library | 90 | As is | 55 mg |
| P-34714922 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
| P-502645389 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-504266408 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-13170150 | Otava | In-House Stock Library | 90 | As is | 100 mg |
| P-491280074 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-424812657 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-33444161 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-1849624 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 105 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 247.060 |
| logP | 2.2163 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 37.3 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 50.6218 |
| Atoms | 21 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 8 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
