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MCULE-4044979774-0
Structure
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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 | 130 USD | 90 | 27 working days | Get Quote |
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1
MCULE-7450882907-0
- Component type: Main
-
2
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4044979774-0.sdf |
| SMILES | MCULE-4044979774-0.smiles |
| Standard InChI | MCULE-4044979774-0.inchi |
| InChIKey | MCULE-4044979774-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-619324742 | ChemDiv | Discovery Chemistry Library | 90 | As is | 74 mg |
| P-22425824 | ChemDiv | Discovery Chemistry Library (natural) | 90 | Main component | unavailable |
| P-868138210 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-454047519 | Specs | Screening Compounds | 90 | Main component | 14 mg |
| P-892220471 | TargetMol | Screening Compounds - synthesis | 95 | Main component | by synthesis |
| P-892314766 | TargetMol | Screening Compounds - stock amount | 95 | Main component | unavailable |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 355.341 |
| logP | 5.1685 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 15.27 |
| RO5 violations | 1 |
| RO3 violations | 2 |
| Refractivity | 108.6937 |
| Atoms | 51 |
| Rings | 5 |
| Heavy atoms | 23 |
| Hydrogen atoms | 28 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 6 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 6 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
