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MCULE-1930936987-0
Structure
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| 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 | 33 USD | 90 | 17 working days | Get Quote |
| 5 mg | 50 USD | 90 | 17 working days | Get Quote |
| 10 mg | 64 USD | 90 | 17 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-1930936987-0.sdf |
| SMILES | MCULE-1930936987-0.smiles |
| Standard InChI | MCULE-1930936987-0.inchi |
| InChIKey | MCULE-1930936987-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-596412731 | Asinex | General screening catalog | 90 | As an isomer | 46 mg |
| P-4324062 | ChemDiv | Discovery Chemistry Library | 90 | As an isomer | 44 mg |
| P-580423457 | Debye Scientific | General Catalog | 95 | As an isomer | by resynthesis (? - ? days) |
| P-19283792 | Princeton Biomolecular Research | Screening Compounds | 90 | As an isomer | in stock |
| P-22531969 | TimTec | ActiMol 1 Week - Stock | 90 | As an isomer | 45 mg |
| P-825176 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As an isomer | 667 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 462.507 |
| logP | 0.1032 |
| H-bond acceptors | 11 |
| H-bond donors | 3 |
| Rotatable bonds | 8 |
| PSA | 201.14 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 114.3853 |
| Atoms | 49 |
| Rings | 4 |
| Heavy atoms | 31 |
| Hydrogen atoms | 18 |
| Heteroatoms | 13 |
| N/O atoms | 11 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 3 |
| R/S chiral centers | 3 |
| 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 |
