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CG-707

CAT: 0931-T25228-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T25228-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1443442-61-2
Target
Others, Phosphatase
Related Pathways
Others, Metabolism
Bioactivity
CG-707 is an inhibitor of PRL-3 that acts by blocking the migration and invasion of metastatic cancer cells.
Smiles
O(CC1=C(OC)C=CC=C1)C2=C(C=CC=C3SC(=S)NC3=O)C=CC=C2
Molecular Formula
C20H17NO3S2
Molecular Weight
383.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 71552278
CAS Number1443442-61-2
PubChem CID71552278
IUPAC Name(5Z)-5-[(E)-3-[2-[(2-methoxyphenyl)methoxy]phenyl]prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Molecular FormulaC20H17NO3S2
Molecular Weight383.5
XLogP4.9
Topological Polar Surface Area105
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity575
SMILES
COC1=CC=CC=C1COC2=CC=CC=C2/C=C/C=C\3/C(=O)NC(=S)S3
InChI
InChI=1S/C20H17NO3S2/c1-23-16-10-4-3-8-15(16)13-24-17-11-5-2-7-14(17)9-6-12-18-19(22)21-20(25)26-18/h2-12H,13H2,1H3,(H,21,22,25)/b9-6+,18-12-
InChIKey
ZFMNOKIPXJKJCB-YKYHQJSKSA-N
Chemical Structure
2D Structure
2D structure of CID 71552278
CAS: 1443442-61-2
CID: 71552278
Formula: C20H17NO3S2
MW: 383.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight383.5
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass383.06498575
Monoisotopic Mass383.06498575
Topological Polar Surface Area105 Ų
Heavy Atom Count26
Formal Charge0
Complexity575
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes