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UNKNOWN STEREO
MCULE-8627886894
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 | 39 USD | 95 | 16 working days | Get Quote |
| 5 mg | 39 USD | 95 | 16 working days | Get Quote |
| 10 mg | 39 USD | 95 | 16 working days | Get Quote |
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MCULE-6953705876
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-8627886894.sdf |
| SMILES | MCULE-8627886894.smiles |
| Standard InChI | MCULE-8627886894.inchi |
| InChIKey | MCULE-8627886894.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867595882 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-873291629 | Angene | Building Blocks in stock | 98 | As is | 150 mg |
| P-881654238 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
| P-889791979 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-500410304 | Pi Chemicals | Virtual Compounds | 95 | As is | by synthesis |
| P-888656510 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869161272 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-611489010 | Toronto Research | In stock | 90 | As is | in stock |
| P-613852857 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
| P-855343967 | Toronto Research | In stock | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 427.460 |
| logP | 0.3708 |
| H-bond acceptors | 11 |
| H-bond donors | 3 |
| Rotatable bonds | 8 |
| PSA | 209.98 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 104.8899 |
| Atoms | 45 |
| Rings | 3 |
| Heavy atoms | 28 |
| Hydrogen atoms | 17 |
| Heteroatoms | 13 |
| N/O atoms | 11 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
