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MCULE-4002231939
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-4002231939.sdf |
| SMILES | MCULE-4002231939.smiles |
| Standard InChI | MCULE-4002231939.inchi |
| InChIKey | MCULE-4002231939.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886508509 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
| P-890131174 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-578335803 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-7151826 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 100 mg |
| P-9022200 | ChemDiv | Discovery Chemistry Library | 90 | As is | 121 mg |
| P-503971884 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-13444286 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
| P-649125813 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
| P-674658186 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
| P-19069268 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-13042900 | Specs | Screening Compounds | 90 | As is | 46 mg |
| P-791116 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 255 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 419.476 |
| logP | 4.0507 |
| H-bond acceptors | 8 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 90.3 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 121.7874 |
| Atoms | 56 |
| Rings | 4 |
| Heavy atoms | 31 |
| Hydrogen atoms | 25 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
