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MCULE-5557084954-0
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 | 36 USD | 92 | 15 working days | Get Quote |
| 5 mg | 54 USD | 90 | 19 working days | Get Quote |
| 10 mg | 68 USD | 90 | 19 working days | Get Quote |
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1
MCULE-6984425215-0
- Component type: Main
-
1
MCULE-6124492894-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5557084954-0.sdf |
| SMILES | MCULE-5557084954-0.smiles |
| Standard InChI | MCULE-5557084954-0.inchi |
| InChIKey | MCULE-5557084954-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-617738591 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 318 mg |
| P-869330052 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-4530414 | ChemBridge | EXPRESS-Pick Collection | 90 | Main component | 7 mg |
| P-619325878 | ChemDiv | Discovery Chemistry Library | 90 | Main component | 89 mg |
| P-34837259 | Crea-Chim | HTS compounds | 90 | Main component | unavailable |
| P-502748621 | Innovapharm | Screening Compounds | 90 | Main component | in stock |
| P-617863053 | InterBioScreen | Screening Compounds | 92 | Main component | 300 mg |
| P-12302755 | Otava | In-House Stock Library | 90 | Main component | 100 mg |
| P-12587306 | Specs | Screening Compounds | 90 | Main component | 27 mg |
| P-22657951 | TimTec | ActiMol 3 Week | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 376.273 |
| logP | 4.9928 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 85.75 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 97.0897 |
| Atoms | 36 |
| Rings | 3 |
| Heavy atoms | 22 |
| Hydrogen atoms | 14 |
| Heteroatoms | 6 |
| N/O atoms | 4 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
