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MCULE-4816398097-0
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 | 130 USD | 92 | 18 working days | Get Quote |
| 5 mg | 130 USD | 92 | 18 working days | Get Quote |
| 10 mg | 130 USD | 92 | 18 working days | Get Quote |
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1
MCULE-9964428838-0
- Component type: Main
-
1
MCULE-9920754312-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4816398097-0.sdf |
| SMILES | MCULE-4816398097-0.smiles |
| Standard InChI | MCULE-4816398097-0.inchi |
| InChIKey | MCULE-4816398097-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-596287238 | Asinex | General screening catalog | 90 | Main component | 17 mg |
| P-596487127 | Asinex | General bb catalog | 90 | Main component | 17 mg |
| P-488548561 | InterBioScreen | Building Blocks | 90 | Main component | in stock |
| P-454367550 | Pharmeks LLC | Building Blocks | 92 | Main component | in stock |
| P-13745223 | Pharmeks LLC | Semi-natural compounds | 92 | Main component | 300 mg |
| P-896210552 | Specs | Screening Compounds | 90 | Main component | 17 mg |
| P-888351645 | TimTec | ActiMol 4 Week - On demand | 94 | Main component | by resynthesis (? - ? days) |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 360.447 |
| logP | 2.4866 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 4 |
| PSA | 89.87 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 107.8623 |
| Atoms | 54 |
| Rings | 3 |
| Heavy atoms | 26 |
| Hydrogen atoms | 28 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
