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MCULE-1038971322
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 | 89 USD | 90 | 17 working days | Get Quote |
| 5 mg | 97 USD | 90 | 17 working days | Get Quote |
| 10 mg | 277 USD | 90 | 35 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-1038971322.sdf |
| SMILES | MCULE-1038971322.smiles |
| Standard InChI | MCULE-1038971322.inchi |
| InChIKey | MCULE-1038971322.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-892974763 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-454686182 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-15153886 | ChemDiv | Discovery Chemistry Library | 90 | As is | 5 mg |
| P-339296 | Chemical Block | Screening Library | 90 | As is | unavailable |
| P-436443758 | Chemical Block | Building Blocks | 90 | As is | 11.51 g |
| P-580788259 | Crea-Chim | Building Blocks | 90 | As is | by resynthesis (? - ? days) |
| P-869014619 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-491226224 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-502337811 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-22526462 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 5 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 221.231 |
| logP | 1.6338 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 50.94 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 56.9418 |
| Atoms | 28 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 12 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 |
