Products for Research Use Only

GNF-1331

CAT: 0013-GTR19194436-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19194436-02Size:50 mg
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Description
GNF-1331 is a potent and selective porcupine inhibitor with an IC50 of 12 nM, demonstrating oral bioavailability. It suppresses aberrant Wnt signaling, a target for oncology research, and has shown efficacy in both cellular assays and in vivo tumor models.
CAS Number
603101-22-0
Field of Research
Signal Transduction, Stem Cell & Developmental Biology
Smiles
C (CC) N1C (=NN=C1SCC (NC=2SC=3C (N2) =CC=C (OC) C3) =O) C=4C=CN=CC4
Molecular Formula
C20H20N6O2S2
Molecular Weight
440.54
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Gnf-1331
CAS Number603101-22-0
PubChem CID4993304
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Molecular FormulaC20H20N6O2S2
Molecular Weight440.5
XLogP3.4
Topological Polar Surface Area148
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity567
SMILES
CCCN1C(=NN=C1SCC(=O)NC2=NC3=C(S2)C=C(C=C3)OC)C4=CC=NC=C4
InChI
InChI=1S/C20H20N6O2S2/c1-3-10-26-18(13-6-8-21-9-7-13)24-25-20(26)29-12-17(27)23-19-22-15-5-4-14(28-2)11-16(15)30-19/h4-9,11H,3,10,12H2,1-2H3,(H,22,23,27)
InChIKey
JIUFLMSAFMXEEC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gnf-1331
CAS: 603101-22-0
CID: 4993304
Formula: C20H20N6O2S2
MW: 440.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight440.5
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass440.10891625
Monoisotopic Mass440.10891625
Topological Polar Surface Area148 Ų
Heavy Atom Count30
Formal Charge0
Complexity567
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