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MCULE-4522179019
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 | 18 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-4522179019.sdf |
| SMILES | MCULE-4522179019.smiles |
| Standard InChI | MCULE-4522179019.inchi |
| InChIKey | MCULE-4522179019.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-893050795 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-874496772 | ChemDiv | Discovery Chemistry Library | 90 | As is | 0 mg |
| P-503022592 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-502632889 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-12889412 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
| P-26578840 | Otava | In-House Stock Library | 90 | As is | 50 mg |
| P-13677363 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
| P-18896830 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-33822804 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
| P-2259785 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 220 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 488.627 |
| logP | 2.9388 |
| H-bond acceptors | 8 |
| H-bond donors | 0 |
| Rotatable bonds | 7 |
| PSA | 133.77 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 141.907 |
| Atoms | 61 |
| Rings | 4 |
| Heavy atoms | 33 |
| Hydrogen atoms | 28 |
| Heteroatoms | 10 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
