Basic information
- CAS
158959-32-1- Standard SMILES
CS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)CCC2)cc1- InChIKey
GJGZQTGPOKPFES-UHFFFAOYSA-N- Molecular formula
- C18H17FO2S
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.09332912
Overview
SC-57666 is a stilbenoid.
Names & identifiers
- Preferred name
- SC-57666
- IUPAC
- 1-fluoro-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene
- English name
- SC57666
- Molecular formula
- C18H17FO2S
- Molecular weight
- 316.39
Names & synonyms
SC-57666Sc 57666RefChem:181639SC57666158959-32-11-fluoro-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzeneCHEMBL274893AC1L9EJK1-Fluoro-4-(2-(4-(methylsulfonyl)phenyl)cyclopent-1-en-1-yl)benzene1-fluoro-4-{2-[4-(methylsulfonyl)phenyl]cyclopent-1-en-1-yl}benzeneSureCN213008SCHEMBL213008
Show more names
SC57666,SC-57666SC57666, 10 mM in DMSOBenzene, 1-fluoro-4-[2-[4-(methylsulfonyl)phenyl]-1-cyclopenten-1-yl]-
C18H17FO2SCHEBI:8982orb1708570GJGZQTGPOKPFES-UHFFFAOYSA-NIGA95932BDBM50029614DNC003789HY-U00129
Database identifiers
- CAS
158959-32-1- PubChem CID
- 443373
- ChEMBL
CHEMBL274893- ChEBI
CHEBI:8982- Nikkaji
- J630.955K
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 516
Physicochemical properties
- Melting point
- 146 · 146-147 °C
- Boiling point
- 472.1 · 472.1±45.0 °C(Predicted)
- Density
- 1.253 · 1.253±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 100 mg/mL · DMSO: ≥ 100 mg/mL (316.07 mM)
- form
- Solid
- color
- White to off-white
Chemistry & industry
Applications
UsesSC57666 is a selective COX2 inhibitor with an IC50 of 26 nM.
Suppliers12 total
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
BOC Sciences[email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
上海弘渠生物医药科技有限公司88888888888 · [email protected]
济南九黎生物科技有限公司15865264761 · [email protected]
Additional notes
Related reactions
5 records
Compound notes
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