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MCULE-8822562838-0
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 | 44 USD | 98 | 19 working days | Get Quote |
| 5 mg | 44 USD | 98 | 19 working days | Get Quote |
| 10 mg | 44 USD | 98 | 19 working days | Get Quote |
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1
MCULE-3405120876-1
- Component type: Main
-
1
MCULE-3833394421-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8822562838-0.sdf |
| SMILES | MCULE-8822562838-0.smiles |
| Standard InChI | MCULE-8822562838-0.inchi |
| InChIKey | MCULE-8822562838-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-588247793 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-504021804 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-31275732 | LaboTest | Screening Collection | 90 | As is | 10 g |
| P-856042712 | LaboTest | Building Blocks | 90 | As is | 10 g |
| P-675522569 | Innovapharm | Virtual Screening Compounds | 90 | Main component as a main component | by synthesis |
| P-504021316 | Innovapharm | Virtual Screening Compounds | 90 | Main component as a main component | by synthesis |
| P-504022186 | Innovapharm | Virtual Screening Compounds | 90 | Main component as a main component | by synthesis |
| P-888651005 | TargetMol | Screening Compounds | 95 | Main component as a main component | by synthesis |
| P-869151827 | TargetMol | Screening Compounds - stock amount | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 222.599 |
| logP | 0.7771 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 49.36 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 47.5465 |
| Atoms | 22 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 8 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| Inorganic atoms | 1 |
| Halogen atoms | 1 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
