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CC618

CAT: 0931-T9767-03Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T9767-03Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1680204-90-3
Target
PPAR
Related Pathways
DNA Damage/DNA Repair, Metabolism
Purity
0.9994
Bioactivity
CC618 is a selective PPARβ/δ antagonist with an IC50 of 10.0 μM.
Smiles
C(NCCS(=O)(=O)C1=CC=C(C(F)(F)F)C=N1)(=O)C=2SC(=NC2C)C3=CC=C(C(F)(F)F)C=C3
Molecular Formula
C20H15F6N3O3S2
Molecular Weight
523.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-methyl-2-(4-(trifluoromethyl)phenyl)-N-(2-(5-(trifluoromethyl)-pyridin-2-ylsulfonyl)ethyl)thiazole-5-carboxamide

an antagonist of both PPARbeta and PPARdelta; structure in first source

CAS Number1680204-90-3
PubChem CID118734332
IUPAC Name4-methyl-2-[4-(trifluoromethyl)phenyl]-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-1,3-thiazole-5-carboxamide
Molecular FormulaC20H15F6N3O3S2
Molecular Weight523.5
XLogP4.6
Topological Polar Surface Area126
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity810
SMILES
CC1=C(SC(=N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NCCS(=O)(=O)C3=NC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C20H15F6N3O3S2/c1-11-16(33-18(29-11)12-2-4-13(5-3-12)19(21,22)23)17(30)27-8-9-34(31,32)15-7-6-14(10-28-15)20(24,25)26/h2-7,10H,8-9H2,1H3,(H,27,30)
InChIKey
AZZXDJUUKNGRAK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-methyl-2-(4-(trifluoromethyl)phenyl)-N-(2-(5-(trifluoromethyl)-pyridin-2-ylsulfonyl)ethyl)thiazole-5-carboxamide
CAS: 1680204-90-3
CID: 118734332
Formula: C20H15F6N3O3S2
MW: 523.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight523.5
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Exact Mass523.04590267
Monoisotopic Mass523.04590267
Topological Polar Surface Area126 Ų
Heavy Atom Count34
Formal Charge0
Complexity810
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
M28891-01CC618

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