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MCULE-4526644451-0
Structure
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- InChIKey:
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- 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.
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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 | 36 USD | 90 | 19 working days | Get Quote |
| 5 mg | 52 USD | 90 | 19 working days | Get Quote |
| 10 mg | 65 USD | 90 | 19 working days | Get Quote |
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1
MCULE-5892907530-0
- Component type: Main
-
1
MCULE-6647815245-2
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4526644451-0.sdf |
| SMILES | MCULE-4526644451-0.smiles |
| Standard InChI | MCULE-4526644451-0.inchi |
| InChIKey | MCULE-4526644451-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-892486527 | Asinex | General screening catalog | 90 | As is | 68 mg |
| P-893042149 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
| P-4164838 | ChemDiv | Discovery Chemistry Library | 90 | Main component | 24 mg |
| P-502605958 | Innovapharm | Screening Compounds | 90 | Main component | in stock |
| P-12507567 | Otava | In-House Stock Library | 90 | Main component | 50 mg |
| P-18862794 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-22961379 | TimTec | ActiMol 4 Week - On demand | 94 | Main component | by resynthesis (? - ? days) |
| P-873070679 | TimTec | ActiMol 4 Week - On demand | 94 | Main component | by resynthesis (? - ? days) |
| P-2275933 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 103 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 542.551 |
| logP | 3.3224 |
| H-bond acceptors | 11 |
| H-bond donors | 3 |
| Rotatable bonds | 11 |
| PSA | 144.68 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 144.2979 |
| Atoms | 70 |
| Rings | 3 |
| Heavy atoms | 39 |
| Hydrogen atoms | 31 |
| Heteroatoms | 11 |
| N/O atoms | 10 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
