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ICRT 14

CAT: 0931-T4486-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T4486-01Size:2 mg
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CAS Number
677331-12-3
Target
Wnt/beta-catenin
Related Pathways
Stem Cells, Cytoskeletal Signaling
Purity
0.9997
Bioactivity
ICRT 14 is a novel and potent inhibitor of β-catenin-responsive transcription (CRT) with an IC50 of 40.3 nM in assays of Wnt pathway activity.
Smiles
Cc1cc(C=C2SC(=O)N(C2=O)c2ccccc2)c(C)n1-c1cccnc1
Molecular Formula
C21H17N3O2S
Molecular Weight
375.44
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(5Z)-5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione

ICRT14 is a member of thiazolidinediones. It has a role as a Wnt signalling inhibitor.

CAS Number677331-12-3
PubChem CID5967294
IUPAC Name(5Z)-5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
Molecular FormulaC21H17N3O2S
Molecular Weight375.4
XLogP4.1
Topological Polar Surface Area80.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity617
SMILES
CC1=CC(=C(N1C2=CN=CC=C2)C)/C=C\3/C(=O)N(C(=O)S3)C4=CC=CC=C4
InChI
InChI=1S/C21H17N3O2S/c1-14-11-16(15(2)23(14)18-9-6-10-22-13-18)12-19-20(25)24(21(26)27-19)17-7-4-3-5-8-17/h3-13H,1-2H3/b19-12-
InChIKey
NCSHZXNGQYSKLR-UNOMPAQXSA-N
Chemical Structure
2D Structure
2D structure of (5Z)-5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CAS: 677331-12-3
CID: 5967294
Formula: C21H17N3O2S
MW: 375.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight375.4
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass375.10414797
Monoisotopic Mass375.10414797
Topological Polar Surface Area80.5 Ų
Heavy Atom Count27
Formal Charge0
Complexity617
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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