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UNKNOWN STEREO
MCULE-3401000639
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 | 11 working days | Get Quote |
| 5 mg | 70 USD | 95 | 11 working days | Get Quote |
| 10 mg | 125 USD | 95 | 11 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-3401000639.sdf |
| SMILES | MCULE-3401000639.smiles |
| Standard InChI | MCULE-3401000639.inchi |
| InChIKey | MCULE-3401000639.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-851696005 | AmBeed | On request | N/A | As is | by synthesis |
| P-580195267 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
| P-864225905 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-860799208 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
| P-868079302 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-888644661 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869136192 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-868495194 | eNovation Chemicals LLC | Building Blocks in stock | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 580.119 |
| logP | 4.2554 |
| H-bond acceptors | 10 |
| H-bond donors | 4 |
| Rotatable bonds | 10 |
| PSA | 114.88 |
| RO5 violations | 1 |
| RO3 violations | 6 |
| Refractivity | 169.3684 |
| Atoms | 79 |
| Rings | 5 |
| Heavy atoms | 41 |
| Hydrogen atoms | 38 |
| Heteroatoms | 11 |
| N/O atoms | 10 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
