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(E/Z) -GO289

CAT: 0931-T9356-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T9356-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
694522-87-7
Target
Casein Kinase
Related Pathways
Stem Cells, Metabolism
Purity
0.9968
Bioactivity
(E/Z) -GO289, which strongly lengthened circadian period, is a potent and selective inhibitor of CK2. (E/Z) -GO289 exhibited cell type-dependent inhibition of cancer cell growth that correlated with cellular clock function. The discovery of (E/Z) -GO289 provides a direct link between the circadian clock and cancer regulation and reveals unique design principles underlying kinase selectivity.
Smiles
COc1cc(\C=N\n2c(SC)nnc2-c2ccccc2)c(Br)cc1O
Molecular Formula
C17H15BrN4O2S
Molecular Weight
419.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-Bromo-2-methoxy-4-(((3-(methylthio)-5-phenyl-4H-1,2,4-triazol-4-yl)imino)methyl)phenol
CAS Number694522-87-7
PubChem CID135401714
IUPAC Name5-bromo-2-methoxy-4-[(E)-(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenol
Molecular FormulaC17H15BrN4O2S
Molecular Weight419.3
XLogP4
Topological Polar Surface Area97.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity452
SMILES
COC1=C(C=C(C(=C1)/C=N/N2C(=NN=C2SC)C3=CC=CC=C3)Br)O
InChI
InChI=1S/C17H15BrN4O2S/c1-24-15-8-12(13(18)9-14(15)23)10-19-22-16(20-21-17(22)25-2)11-6-4-3-5-7-11/h3-10,23H,1-2H3/b19-10+
InChIKey
DARDDBZKGVEVKB-VXLYETTFSA-N
Chemical Structure
2D Structure
2D structure of 5-Bromo-2-methoxy-4-(((3-(methylthio)-5-phenyl-4H-1,2,4-triazol-4-yl)imino)methyl)phenol
CAS: 694522-87-7
CID: 135401714
Formula: C17H15BrN4O2S
MW: 419.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight419.3
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass418.00991
Monoisotopic Mass418.00991
Topological Polar Surface Area97.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity452
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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