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MCULE-3984664435-1
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 | 46 USD | 90 | 23 working days | Get Quote |
| 5 mg | 73 USD | 90 | 23 working days | Get Quote |
| 10 mg | 88 USD | 90 | 23 working days | Get Quote |
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1
MCULE-1367492737-2
- Component type: Main
-
1
MCULE-3833394421-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3984664435-1.sdf |
| SMILES | MCULE-3984664435-1.smiles |
| Standard InChI | MCULE-3984664435-1.inchi |
| InChIKey | MCULE-3984664435-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-890849795 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-855988047 | Key Organics | Building Blocks | 97 | As is | 50 mg |
| P-888643922 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869134422 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-890851974 | Innovapharm | Screening Compounds | 90 | Main component as a main component | in stock |
| P-881189396 | Otava | In-House Stock Library | 90 | Main component as a main component | 50 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 380.437 |
| logP | 1.1891 |
| H-bond acceptors | 7 |
| H-bond donors | 3 |
| Rotatable bonds | 12 |
| PSA | 157.85 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 91.0794 |
| Atoms | 50 |
| Rings | 1 |
| Heavy atoms | 25 |
| Hydrogen atoms | 25 |
| Heteroatoms | 9 |
| N/O atoms | 7 |
| Inorganic atoms | 1 |
| 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 |
