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MCULE-4721114004
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 | 33 USD | 90 | 19 working days | Get Quote |
| 5 mg | 49 USD | 90 | 19 working days | Get Quote |
| 10 mg | 62 USD | 90 | 19 working days | Get Quote |
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1
MCULE-4251950708
- Component type: Main
-
1
MCULE-1013719295
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4721114004.sdf |
| SMILES | MCULE-4721114004.smiles |
| Standard InChI | MCULE-4721114004.inchi |
| InChIKey | MCULE-4721114004.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-645868678 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
| P-13433783 | InterBioScreen | Screening Compounds | 92 | Main component | 300 mg |
| P-617710369 | Otava | Chemical Building Blocks for Prompt Delivery | 90 | Main component | 110 mg |
| P-424418243 | Otava | In-House Stock Library | 90 | Main component | 110 mg |
| P-13594389 | Pharmeks LLC | Synthetic compounds | 92 | Main component | 300 mg |
| P-519913184 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-1759510 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 131 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 556.528 |
| logP | -1.8679 |
| H-bond acceptors | 16 |
| H-bond donors | 5 |
| Rotatable bonds | 7 |
| PSA | 228.36 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 147.3429 |
| Atoms | 68 |
| Rings | 5 |
| Heavy atoms | 40 |
| Hydrogen atoms | 28 |
| Heteroatoms | 16 |
| N/O atoms | 16 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
