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MCULE-8693222578-0
Structure
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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 | 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 |
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| Name | File |
|---|---|
| SDF | MCULE-8693222578-0.sdf |
| SMILES | MCULE-8693222578-0.smiles |
| Standard InChI | MCULE-8693222578-0.inchi |
| InChIKey | MCULE-8693222578-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-893025137 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-869321090 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-596319029 | Asinex | General screening catalog | 90 | As is | 5 mg |
| P-10551863 | ChemDiv | Discovery Chemistry Library | 90 | As is | unavailable |
| P-34773424 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-502932213 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-504530375 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-12968635 | Otava | In-House Stock Library | 90 | As is | 18 mg |
| P-18844392 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-22782436 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-676489370 | Ultimate 3P | Express 1 | 90 | As is | by synthesis |
| P-3244544 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As is | 188 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 216.210 |
| logP | 2.546 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 41.99 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 58.4092 |
| Atoms | 25 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 9 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
