Products for Research Use Only

TG4-155

CAT: 0013-GTR19158131-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19158131-01Size:200 mg
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Description
TG4-155 is a brain penetrant EP2 antagonist (KB = 2.4 nM) that is over 1000-fold less effective at EP4 (KB = 11.4 μM) and a panel of other receptors and channels.
CAS Number
1164462-05-8
Purity
>98% (HPLC)
Solubility
DMSO:125 mg/mL (316.89 mM)
Smiles
COc1cc (\C=C\C (=O) NCCn2c (C) cc3ccccc23) cc (OC) c1OC
Molecular Formula
C23H26N2O4
Molecular Weight
394.47
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
(E) -N-[2- (2-methylindol-1-yl) ethyl]-3- (345-trimethoxyphenyl) prop-2-enamide

Chemical Information

TG4-155

an EP2 receptor antagonist; structure in first source

CAS Number1164462-05-8
PubChem CID5886965
IUPAC Name(E)-N-[2-(2-methylindol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
Molecular FormulaC23H26N2O4
Molecular Weight394.5
XLogP3.6
Topological Polar Surface Area61.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity541
SMILES
CC1=CC2=CC=CC=C2N1CCNC(=O)/C=C/C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C23H26N2O4/c1-16-13-18-7-5-6-8-19(18)25(16)12-11-24-22(26)10-9-17-14-20(27-2)23(29-4)21(15-17)28-3/h5-10,13-15H,11-12H2,1-4H3,(H,24,26)/b10-9+
InChIKey
YBHUXHFZLMFETJ-MDZDMXLPSA-N
Chemical Structure
2D Structure
2D structure of TG4-155
CAS: 1164462-05-8
CID: 5886965
Formula: C23H26N2O4
MW: 394.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight394.5
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass394.18925731
Monoisotopic Mass394.18925731
Topological Polar Surface Area61.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity541
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