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Wnt pathway inhibitor 4

CAT: 0931-T77716-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T77716-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
663214-57-1
Target
Others, Antibacterial, Wnt/beta-catenin
Related Pathways
Cytoskeletal Signaling, Others, Stem Cells, Microbiology/Virology
Purity
0.9891
Bioactivity
Wnt pathway inhibitor 4 is a small molecule antimicrobial agent with antibacterial and antiproliferative activity against cancer cells.
Smiles
C(#N)C=1C(C2=C(C=C3C(=C2)OCO3)OC1N)C4=CC(OC)=C(OC)C(Br)=C4
Molecular Formula
C19H15BrN2O5
Molecular Weight
431.24
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

6-amino-8-(3-bromo-4,5-dimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile
CAS Number663214-57-1
PubChem CID3260826
IUPAC Name6-amino-8-(3-bromo-4,5-dimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile
Molecular FormulaC19H15BrN2O5
Molecular Weight431.2
XLogP3.7
Topological Polar Surface Area96
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity649
SMILES
COC1=C(C(=CC(=C1)C2C3=CC4=C(C=C3OC(=C2C#N)N)OCO4)Br)OC
InChI
InChI=1S/C19H15BrN2O5/c1-23-16-4-9(3-12(20)18(16)24-2)17-10-5-14-15(26-8-25-14)6-13(10)27-19(22)11(17)7-21/h3-6,17H,8,22H2,1-2H3
InChIKey
NJNZVKZFRYVFSS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-amino-8-(3-bromo-4,5-dimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile
CAS: 663214-57-1
CID: 3260826
Formula: C19H15BrN2O5
MW: 431.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight431.2
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass430.01643
Monoisotopic Mass430.01643
Topological Polar Surface Area96 Ų
Heavy Atom Count27
Formal Charge0
Complexity649
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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