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TC-E 5001

CAT: 0013-GTR19200767-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200767-02Size:50 mg
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Description
This small molecule compound is a potent and selective dual inhibitor of tankyrase 1 (TNKS1) and tankyrase 2 (TNKS2) . It is a valuable chemical probe for investigating the Wnt/β-catenin signaling pathway in cancer research and has demonstrated utility in both cellular and in vivo model studies.
CAS Number
865565-29-3
Field of Research
Epigenetics & Chromatin, Molecular Biology
Smiles
S (CC1=NC (=NO1) C2=CC=C (OC) C=C2) C=3N (C (C) =NN3) C4=CC=C (OC) C=C4
Molecular Formula
C20H19N5O3S
Molecular Weight
409.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-(4-Methoxyphenyl)-5-({[4-(4-Methoxyphenyl)-5-Methyl-4h-1,2,4-Triazol-3-Yl]sulfanyl}methyl)-1,2,4-Oxadiazole
CAS Number865565-29-3
PubChem CID16013184
IUPAC Name3-(4-methoxyphenyl)-5-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
Molecular FormulaC20H19N5O3S
Molecular Weight409.5
XLogP3.7
Topological Polar Surface Area113
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity503
SMILES
CC1=NN=C(N1C2=CC=C(C=C2)OC)SCC3=NC(=NO3)C4=CC=C(C=C4)OC
InChI
InChI=1S/C20H19N5O3S/c1-13-22-23-20(25(13)15-6-10-17(27-3)11-7-15)29-12-18-21-19(24-28-18)14-4-8-16(26-2)9-5-14/h4-11H,12H2,1-3H3
InChIKey
LQZSHPITKSPDLC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(4-Methoxyphenyl)-5-({[4-(4-Methoxyphenyl)-5-Methyl-4h-1,2,4-Triazol-3-Yl]sulfanyl}methyl)-1,2,4-Oxadiazole
CAS: 865565-29-3
CID: 16013184
Formula: C20H19N5O3S
MW: 409.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight409.5
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass409.12086066
Monoisotopic Mass409.12086066
Topological Polar Surface Area113 Ų
Heavy Atom Count29
Formal Charge0
Complexity503
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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