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MCULE-3994865078
Compound
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- InChIKey:
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- 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 | 65 USD | 97 | 10 working days | Get Quote |
| 5 mg | 79 USD | 98 | 16 working days | Get Quote |
| 10 mg | 111 USD | 97 | 10 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-3994865078.sdf |
| SMILES | MCULE-3994865078.smiles |
| Standard InChI | MCULE-3994865078.inchi |
| InChIKey | MCULE-3994865078.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-873254711 | Key Organics | Screening Compounds and Fragments | 97 | As is | 39 mg |
| P-895198390 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
| P-608273502 | Molnova | Stock | 98 | As is | in stock |
| P-889867465 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-892271777 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892349208 | TargetMol | Screening Compounds - stock amount | 95 | As is | unavailable |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 638.819 |
| logP | 6.486 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 79.53 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 157.2994 |
| Atoms | 67 |
| Rings | 5 |
| Heavy atoms | 36 |
| Hydrogen atoms | 31 |
| Heteroatoms | 9 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
