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Wnt-C59

CAT: 0931-T2242-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T2242-07Size:100 mg
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CAS Number
1243243-89-1
Target
Porcupine, Wnt/beta-catenin
Related Pathways
Cytoskeletal Signaling, Stem Cells
Purity
0.9995
Bioactivity
Wnt-C59 (C59) is a highly effective and specific Wnt signaling antagonis with PORCN enzymatic activity.
Smiles
Cc1cc(ccn1)-c1ccc(CC(=O)Nc2ccc(cc2)-c2cccnc2)cc1
Molecular Formula
C25H21N3O
Molecular Weight
379.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-(4-(2-Methylpyridin-4-yl)phenyl)-N-(4-(pyridin-3-yl)phenyl)acetamide

a PORCN acyltransferase inhibitor; structure in first source

CAS Number1243243-89-1
PubChem CID57519544
IUPAC Name2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(4-pyridin-3-ylphenyl)acetamide
Molecular FormulaC25H21N3O
Molecular Weight379.5
XLogP4.2
Topological Polar Surface Area54.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity508
SMILES
CC1=NC=CC(=C1)C2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)C4=CN=CC=C4
InChI
InChI=1S/C25H21N3O/c1-18-15-22(12-14-27-18)20-6-4-19(5-7-20)16-25(29)28-24-10-8-21(9-11-24)23-3-2-13-26-17-23/h2-15,17H,16H2,1H3,(H,28,29)
InChIKey
KHZOJCQBHJUJFY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-(2-Methylpyridin-4-yl)phenyl)-N-(4-(pyridin-3-yl)phenyl)acetamide
CAS: 1243243-89-1
CID: 57519544
Formula: C25H21N3O
MW: 379.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight379.5
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass379.168462302
Monoisotopic Mass379.168462302
Topological Polar Surface Area54.9 Ų
Heavy Atom Count29
Formal Charge0
Complexity508
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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