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MCULE-3969310123
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 | 62 USD | 90 | 22 working days | Get Quote |
| 5 mg | 77 USD | 90 | 22 working days | Get Quote |
| 10 mg | 101 USD | 90 | 22 working days | Get Quote |
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1
MCULE-9853372042
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3969310123.sdf |
| SMILES | MCULE-3969310123.smiles |
| Standard InChI | MCULE-3969310123.inchi |
| InChIKey | MCULE-3969310123.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-892483898 | Asinex | General screening catalog | 90 | As is | 11 mg |
| P-5547152 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 50 mg |
| P-674220169 | ChemDiv | Discovery Chemistry Library | 90 | As is | 34 mg |
| P-34562681 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
| P-596491450 | Asinex | General bb catalog | 90 | Main component | unavailable |
| P-454227686 | Specs | Screening Compounds | 90 | Main component | 42 mg |
| P-888376491 | TimTec | ActiMol 4 Week - On demand | 94 | Main component | by resynthesis (? - ? days) |
| P-675074930 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 316.797 |
| logP | 3.0764 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 41.57 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 87.1087 |
| Atoms | 43 |
| Rings | 2 |
| Heavy atoms | 21 |
| Hydrogen atoms | 22 |
| Heteroatoms | 6 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
