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UNKNOWN STEREO
MCULE-9158032720
Compound
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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 | 64 USD | 98 | 16 working days | Get Quote |
| 5 mg | 239 USD | 98 | 20 working days | Get Quote |
| 10 mg | 286 USD | 98 | 16 working days | Get Quote |
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1
MCULE-7224041545
- Component type: Main
-
2
MCULE-1246638159
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9158032720.sdf |
| SMILES | MCULE-9158032720.smiles |
| Standard InChI | MCULE-9158032720.inchi |
| InChIKey | MCULE-9158032720.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-888636563 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869122033 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-867692081 | A2B Chem | Predominantly Building Block in stock | 98 | Main component | in stock |
| P-875871055 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-872942124 | AmBeed | In stock | N/A | Main component | in stock |
| P-873301911 | Angene | Building Blocks in stock | 98 | Main component | 986 mg |
| P-889573429 | AstaTech | In Stock BBs | 95 | Main component | in stock |
| P-888636562 | TargetMol | Screening Compounds | 95 | Main component | by synthesis |
| P-869122032 | TargetMol | Screening Compounds - stock amount | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 1738.487 |
| logP | 6.7992 |
| H-bond acceptors | 37 |
| H-bond donors | 8 |
| Rotatable bonds | 56 |
| PSA | 485.13 |
| RO5 violations | 4 |
| RO3 violations | 6 |
| Refractivity | 429.2868 |
| Atoms | 219 |
| Rings | 9 |
| Heavy atoms | 118 |
| Hydrogen atoms | 101 |
| Heteroatoms | 41 |
| N/O atoms | 37 |
| Inorganic atoms | 0 |
| Halogen atoms | 4 |
| Chiral centers | 4 |
| R/S chiral centers | 2 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
