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MCULE-4004605999-0
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 | 33 USD | 90 | 19 working days | Get Quote |
| 5 mg | 49 USD | 90 | 19 working days | Get Quote |
| 10 mg | 62 USD | 90 | 19 working days | Get Quote |
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1
MCULE-6994092161-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4004605999-0.sdf |
| SMILES | MCULE-4004605999-0.smiles |
| Standard InChI | MCULE-4004605999-0.inchi |
| InChIKey | MCULE-4004605999-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-852552138 | Matrix Scientific | All | N/A | As is | in stock |
| P-895549315 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-519784276 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-675078626 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-617596512 | Specs | Screening Compounds | 90 | As is | 98 mg |
| P-872999773 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 84 mg |
| P-617758438 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 71 mg |
| P-554938 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 340 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 223.740 |
| logP | 4.2723 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 12.03 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 69.0687 |
| Atoms | 33 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 18 |
| Heteroatoms | 2 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
