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GW4064

CAT: 1568-C08854-01Size: 5 mgDry Ice: YesHazardous: No
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CAT#:1568-C08854-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
278779-30-9
SKU
C08854-5mg
Target
FXR
Applications
Metabolism
Smiles
CC (C) C1=C (C (=NO1) C2=C (C=CC=C2Cl) Cl) COC3=CC (=C (C=C3) C=CC4=CC (=CC=C4) C (=O) O) Cl
Molecular Formula
C28H22Cl3NO4
Additionnal Information
GW4064 is an agonist of farnesoid X receptor (FXR) with EC50 of 65 nM in CV1 cell line and displays no activity at other nuclear receptors at concentrations up to 1 μM. GW4064 stimulates autophagy in MCF-7 cells.
Storage Conditions
2 years -80 in solvent

Chemical Information

GW-4064

GW 4064 is a stilbenoid.

CAS Number278779-30-9
PubChem CID9893571
IUPAC Name3-[(E)-2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]ethenyl]benzoic acid
Molecular FormulaC28H22Cl3NO4
Molecular Weight542.8
XLogP8.3
Topological Polar Surface Area72.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count36
Formal Charge0
Complexity742
SMILES
CC(C)C1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)COC3=CC(=C(C=C3)/C=C/C4=CC(=CC=C4)C(=O)O)Cl
InChI
InChI=1S/C28H22Cl3NO4/c1-16(2)27-21(26(32-36-27)25-22(29)7-4-8-23(25)30)15-35-20-12-11-18(24(31)14-20)10-9-17-5-3-6-19(13-17)28(33)34/h3-14,16H,15H2,1-2H3,(H,33,34)/b10-9+
InChIKey
BYTNEISLBIENSA-MDZDMXLPSA-N
Chemical Structure
2D Structure
2D structure of GW-4064
CAS: 278779-30-9
CID: 9893571
Formula: C28H22Cl3NO4
MW: 542.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight542.8
XLogP38.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass541.061441
Monoisotopic Mass541.061441
Topological Polar Surface Area72.6 Ų
Heavy Atom Count36
Formal Charge0
Complexity742
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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