Structure Info
- Chemspace ID
- CSCS20456218558 (Synthesis)
- IUPAC Name
- 2-[3-(4-bromo-3,6-dioxocyclohexa-1,4-dien-1-yl)propyl]-5-methylcyclohexa-2,5-diene-1,4-dione
- Mol formula
- C16H13BrO4
- Mol weight
- 349 Da
- Catalog Number(s)
- HY-162414, T87362
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.77
- Heavy atoms count
- 21
- Rotatable bond count
- 4
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.25
- Polar surface area (Å)
- 68
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSCS20456218558
Items Overall 3 items from 3 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| MedChemExpress | TBD | United States To: | 90 | 1 mg | POA | |
Description: Names: SARS-CoV-2-IN-84; Product Description: SARS-CoV-2-IN-84 (compound 20) is a SARS-CoV-2 inhibitor that targets the 3CL protease (3CL Pro) of SARS-CoV-2 ( IC 50 : 369.5 nM ) .; Target: SARS-CoV; CAS: 214221-82-6 | ||||||
| MedChemExpress EU | TBD | Sweden To: | 90 | 1 mg | POA | |
Description: Names: SARS-CoV-2-IN-84; Product Description: SARS-CoV-2-IN-84 (compound 20) is aSARS-CoV-2 inhibitor that targets the 3CL protease (3CL Pro) of SARS-CoV-2 (IC50: 369.5 nM ); Target: SARS-CoV; CAS: 214221-82-6 | ||||||
| Targetmol Chemicals Inc | TBD | United States To: | 90 | 1 mg | POA | |
Description: SARS-CoV-2-IN-84 (compound 20) functions as an inhibitor targeting the 3CL protease (3CL Pro) of SARS-CoV-2, with an inhibition concentration (IC 50) of 369.5 nM. [2] [1]; CAS: 214221-82-6 | ||||||
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