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UNKNOWN STEREO
MCULE-9663871826-1
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 | 9 USD | 98 | 20 working days | Get Quote |
| 5 mg | 9 USD | 98 | 20 working days | Get Quote |
| 10 mg | 9 USD | 98 | 20 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-9663871826-1.sdf |
| SMILES | MCULE-9663871826-1.smiles |
| Standard InChI | MCULE-9663871826-1.inchi |
| InChIKey | MCULE-9663871826-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886581492 | A2B Chem | Predominantly Building Block in stock | 10 | As is | in stock |
| P-875766771 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-865913778 | Angene | Building Blocks in stock | 98 | As is | 350 g |
| P-889589095 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-901413154 | Biosynth | In Stock | 95 | As is | in stock |
| P-505501306 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-488555847 | InterBioScreen | Bioactive compounds | 92 | As is | in stock |
| P-488545482 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-454365711 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-500380384 | Pi Chemicals | Virtual Compounds | 97 | As is | by synthesis |
| P-869163511 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892299706 | TargetMol | In Stock BB | 95 | As is | unavailable |
| P-888658860 | TargetMol | Screening Compounds - stock amount | 95 | As is | 97 mg |
| P-611421811 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 454.515 |
| logP | -0.3073 |
| H-bond acceptors | 12 |
| H-bond donors | 2 |
| Rotatable bonds | 8 |
| PSA | 234.93 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 106.6905 |
| Atoms | 43 |
| Rings | 4 |
| Heavy atoms | 29 |
| Hydrogen atoms | 14 |
| Heteroatoms | 15 |
| N/O atoms | 12 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
