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MCULE-4996167291
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 | 50 USD | 90 | 19 working days | Get Quote |
| 5 mg | 73 USD | 90 | 19 working days | Get Quote |
| 10 mg | 92 USD | 90 | 19 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4996167291.sdf |
| SMILES | MCULE-4996167291.smiles |
| Standard InChI | MCULE-4996167291.inchi |
| InChIKey | MCULE-4996167291.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-893062896 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-425334775 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-6368898 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 50 mg |
| P-4471177 | ChemDiv | Discovery Chemistry Library | 90 | As is | 138 mg |
| P-503061365 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-502658389 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-12532277 | Otava | In-House Stock Library | 90 | As is | 50 mg |
| P-18874019 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-903590397 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-2285156 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 76 mg |
| P-897413413 | XtalPi Inc. | Virtual amide coupling building blocks | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 295.331 |
| logP | 4.0707 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 51.47 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 85.1552 |
| Atoms | 39 |
| Rings | 3 |
| Heavy atoms | 22 |
| Hydrogen atoms | 17 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
