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UNKNOWN STEREO
MCULE-3896458949-0
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 | 39 USD | 95 | 9 working days | Get Quote |
| 5 mg | 75 USD | 95 | 9 working days | Get Quote |
| 10 mg | 119 USD | 95 | 9 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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1
MCULE-7243164684-0
- Component type: Main
-
1
MCULE-9976402631-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3896458949-0.sdf |
| SMILES | MCULE-3896458949-0.smiles |
| Standard InChI | MCULE-3896458949-0.inchi |
| InChIKey | MCULE-3896458949-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-613854303 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-851947910 | AmBeed | In stock | N/A | Main component | in stock |
| P-889592990 | AstaTech | In Stock BBs | 95 | Main component | in stock |
| P-860798347 | Chiralstar | Chiralstar Building Blocks | 98 | Main component | in stock |
| P-869119586 | TargetMol | Screening Compounds - synthesis | 95 | Main component | by synthesis |
| P-892289232 | TargetMol | In Stock BB | 95 | Main component | unavailable |
| P-888634482 | TargetMol | Screening Compounds - stock amount | 95 | Main component | 127 mg |
| P-854970338 | Toronto Research | In stock | 90 | Main component | in stock |
| P-854990664 | Toronto Research | In stock | 90 | Main component | in stock |
| P-868525092 | eNovation Chemicals LLC | Building Blocks in stock | 99 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 460.360 |
| logP | -0.7066 |
| H-bond acceptors | 16 |
| H-bond donors | 8 |
| Rotatable bonds | 10 |
| PSA | 224.52 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 94.0747 |
| Atoms | 54 |
| Rings | 1 |
| Heavy atoms | 31 |
| Hydrogen atoms | 23 |
| Heteroatoms | 16 |
| N/O atoms | 13 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| Chiral centers | 5 |
| R/S chiral centers | 5 |
| 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 |
