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MCULE-4594253852-0
Structure
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- 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 | 34 USD | 90 | 19 working days | Get Quote |
| 5 mg | 51 USD | 90 | 19 working days | Get Quote |
| 10 mg | 65 USD | 90 | 19 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4594253852-0.sdf |
| SMILES | MCULE-4594253852-0.smiles |
| Standard InChI | MCULE-4594253852-0.inchi |
| InChIKey | MCULE-4594253852-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886134860 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-596334132 | Asinex | General screening catalog | 90 | As is | 239 mg |
| P-4945882 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 50 mg |
| P-124368 | Chemical Block | Screening Library | 90 | As is | 162 mg |
| P-34776229 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
| P-503418061 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-12659740 | InterBioScreen | Screening Compounds | 92 | As is | unavailable |
| P-14066356 | Life Chemicals | Screening Compounds | 90 | As is | 104 mg |
| P-654868736 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
| P-24077619 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-22466097 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 150 mg |
| P-2223408 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 55 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 329.332 |
| logP | 4.0616 |
| H-bond acceptors | 7 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 125.28 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 89.1482 |
| Atoms | 34 |
| Rings | 3 |
| Heavy atoms | 23 |
| Hydrogen atoms | 11 |
| Heteroatoms | 8 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
