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IWP-3

CAT: 1410-M33751-02Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M33751-02Size:1 mL x 10 mM in DMSO
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
IWP-3 is a potent inhibitor of Wnt production with an IC50 of 40 nM. It inhibits Porcupine (Porcn), blocking the palmitoylation of Wnt proteins, and moderately inhibits CK1γ3 and CK1ε, but does not inhibit CK1α .
CAS Number
687561-60-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
484.59
Molecular Formula
C22H17FN4O2S3
Notes
Research use only, not for human use.
Receptor
Wnt/beta-catenin

Chemical Information

2-((3-(4-fluorophenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(6-methylbenzo[d]thiazol-2-yl)acetamide
CAS Number687561-60-0
PubChem CID2155389
IUPAC Name2-[[3-(4-fluorophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
Molecular FormulaC22H17FN4O2S3
Molecular Weight484.6
XLogP4.9
Topological Polar Surface Area154
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity830
SMILES
CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=C(C=C5)F)SCC4
InChI
InChI=1S/C22H17FN4O2S3/c1-12-2-7-15-17(10-12)32-21(24-15)26-18(28)11-31-22-25-16-8-9-30-19(16)20(29)27(22)14-5-3-13(23)4-6-14/h2-7,10H,8-9,11H2,1H3,(H,24,26,28)
InChIKey
XVMHQSDMKWQNBK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-((3-(4-fluorophenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(6-methylbenzo[d]thiazol-2-yl)acetamide
CAS: 687561-60-0
CID: 2155389
Formula: C22H17FN4O2S3
MW: 484.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight484.6
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass484.04976748
Monoisotopic Mass484.04976748
Topological Polar Surface Area154 Ų
Heavy Atom Count32
Formal Charge0
Complexity830
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

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