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MCULE-6126827779
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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-6126827779.sdf |
| SMILES | MCULE-6126827779.smiles |
| Standard InChI | MCULE-6126827779.inchi |
| InChIKey | MCULE-6126827779.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-893085505 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-427945045 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 10 mg |
| P-4397251 | ChemDiv | Discovery Chemistry Library | 90 | As is | 52 mg |
| P-502501549 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-504494276 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-12978829 | InterBioScreen | Screening Compounds | 92 | As is | 238 mg |
| P-35258200 | Maybridge | Screening Collection | 90 | As is | 4.359 kg |
| P-445279878 | Pharmeks LLC | Synthetic compounds | 92 | As is | 238 mg |
| P-18995775 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-12394782 | Specs | Screening Compounds | 90 | As is | 22 mg |
| P-22936580 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-25056564 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 187 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 251.235 |
| logP | 1.6512 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 7 |
| PSA | 103.7 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 63.9068 |
| Atoms | 31 |
| Rings | 1 |
| Heavy atoms | 18 |
| Hydrogen atoms | 13 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |
