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MCULE-3998557907-0
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 | 35 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-2513366671-0
- Component type: Main
-
1
MCULE-8295936189-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3998557907-0.sdf |
| SMILES | MCULE-3998557907-0.smiles |
| Standard InChI | MCULE-3998557907-0.inchi |
| InChIKey | MCULE-3998557907-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-33391514 | TimTec | ActiMol 2 Week | 90 | As is | in stock |
| P-596513042 | Asinex | General bb catalog | 90 | Main component | 100 mg |
| P-596373819 | Asinex | General screening catalog | 90 | Main component | 100 mg |
| P-427959311 | ChemBridge | EXPRESS-Pick Collection | 90 | Main component | 5 mg |
| P-3890197 | ChemDiv | Discovery Chemistry Library | 90 | Main component | 9 mg |
| P-503130979 | Innovapharm | Virtual Screening Compounds | 90 | Main component | by synthesis |
| P-502888813 | Innovapharm | Screening Compounds | 90 | Main component | in stock |
| P-12698733 | Otava | In-House Stock Library | 90 | Main component | 50 mg |
| P-18841351 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-875286534 | TimTec | ActiMol 1 Week - Stock | 90 | Main component | 5 mg |
| P-2158648 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 104 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 483.521 |
| logP | 4.2363 |
| H-bond acceptors | 9 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 181.59 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 124.2682 |
| Atoms | 50 |
| Rings | 5 |
| Heavy atoms | 33 |
| Hydrogen atoms | 17 |
| Heteroatoms | 11 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
