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MCULE-4021162979-1
Structure
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- InChI:
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| 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 | 33 USD | 90 | 19 working days | Get Quote |
| 5 mg | 49 USD | 90 | 19 working days | Get Quote |
| 10 mg | 63 USD | 90 | 19 working days | Get Quote |
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1
MCULE-9835967551-1
- Component type: Main
-
1
MCULE-8295936189-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4021162979-1.sdf |
| SMILES | MCULE-4021162979-1.smiles |
| Standard InChI | MCULE-4021162979-1.inchi |
| InChIKey | MCULE-4021162979-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-24170762 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
| P-596400355 | Asinex | General screening catalog | 90 | Main component | 712 mg |
| P-504186191 | Innovapharm | Virtual Screening Compounds | 90 | Main component | by synthesis |
| P-502598319 | Innovapharm | Screening Compounds | 90 | Main component | in stock |
| P-427893342 | InterBioScreen | Screening Compounds | 92 | Main component | 213 mg |
| P-18816897 | Key Organics | Screening Compounds and Fragments | 90 | Main component | 1.104 g |
| P-31242582 | LaboTest | Screening Collection | 90 | Main component | 500 mg |
| P-34047065 | Otava | In-House Stock Library | 90 | Main component | 50 mg |
| P-424799348 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-12540981 | Specs | Screening Compounds | 90 | Main component | 20 mg |
| P-23300665 | TimTec | ActiMol 4 Week - On demand | 94 | Main component | by resynthesis (? - ? days) |
| P-2224815 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 457 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 343.198 |
| logP | 3.1072 |
| H-bond acceptors | 5 |
| H-bond donors | 3 |
| Rotatable bonds | 1 |
| PSA | 115.55 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 83.3312 |
| Atoms | 30 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 11 |
| Heteroatoms | 7 |
| N/O atoms | 5 |
| 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 | 2 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 2 |
| Undefined stereo double bonds | 0 |
