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MCULE-5996318556
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 | 35 USD | 90 | 19 working days | Get Quote |
| 5 mg | 52 USD | 90 | 19 working days | Get Quote |
| 10 mg | 67 USD | 90 | 19 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-5996318556.sdf |
| SMILES | MCULE-5996318556.smiles |
| Standard InChI | MCULE-5996318556.inchi |
| InChIKey | MCULE-5996318556.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-596400818 | Asinex | General screening catalog | 90 | As is | 6 mg |
| P-5732918 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 10 mg |
| P-4133804 | ChemDiv | Discovery Chemistry Library | 90 | As is | 22 mg |
| P-502601563 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-12641775 | InterBioScreen | Screening Compounds | 92 | As is | unavailable |
| P-445280354 | Pharmeks LLC | Synthetic compounds | 92 | As is | 287 mg |
| P-18836562 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-888226149 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 7 mg |
| P-2268078 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 114 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 452.281 |
| logP | 0.9915 |
| H-bond acceptors | 8 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 124.81 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 113.3518 |
| Atoms | 41 |
| Rings | 4 |
| Heavy atoms | 27 |
| Hydrogen atoms | 14 |
| Heteroatoms | 10 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
