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Cy-09

CAS No.:
1073612-91-5
Catalog Number:
AG01DF00
Molecular Formula:
C19H12F3NO3S2
Molecular Weight:
423.4287
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
98%
1 week
United States
$140
- +
5mg
98%
1 week
United States
$223
- +
10mg
98%
1 week
United States
$321
- +
50mg
98%
1 week
United States
$1112
- +
100mg
98%
1 week
United States
$1862
- +
Product Description
Catalog Number:
AG01DF00
Chemical Name:
Cy-09
CAS Number:
1073612-91-5
Molecular Formula:
C19H12F3NO3S2
Molecular Weight:
423.4287
MDL Number:
MFCD31619349
IUPAC Name:
4-[(Z)-[4-oxo-2-sulfanylidene-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
InChI:
InChI=1S/C19H12F3NO3S2/c20-19(21,22)14-3-1-2-12(8-14)10-23-16(24)15(28-18(23)27)9-11-4-6-13(7-5-11)17(25)26/h1-9H,10H2,(H,25,26)/b15-9-
InChI Key:
DJTINRHPPGAPLD-DHDCSXOGSA-N
SMILES:
S=C1S/C(=C\c2ccc(cc2)C(=O)O)/C(=O)N1Cc1cccc(c1)C(F)(F)F
Properties
Complexity:
672  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
423.021g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
423.424g/mol
Monoisotopic Mass:
423.021g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  
Literature
Title Journal
Identification of a selective and direct NLRP3 inhibitor to treat inflammatory disorders. The Journal of experimental medicine 20171106
Thiazolidinone CFTR inhibitors with improved water solubility identified by structure-activity analysis. Bioorganic & medicinal chemistry 20080901
Properties