Products for Research Use Only

GR148672X

CAT: 0013-GTR19156978-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19156978-06Size:100 mg
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Description
GR148672X is an inhibitor of triacyglycerol hydrolase (TGH) (IC50: 4 nM) .
CAS Number
263890-70-6
Purity
>98% (HPLC)
Solubility
DMSO:310 mg/mL (910.91 mM; Need ultrasonic and warming)
Smiles
Cc1cccc (NN=C (C (=O) c2cccs2) C (=O) C (F) (F) F) c1
Molecular Formula
C15H11F3N2O2S
Molecular Weight
340.32
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

(2E)-4,4,4-trifluoro-2-[(3-methylphenyl)hydrazinylidene]-1-thiophen-2-ylbutane-1,3-dione
CAS Number263890-70-6
PubChem CID135457124
IUPAC Name1,1,1-trifluoro-4-hydroxy-3-[(3-methylphenyl)diazenyl]-4-thiophen-2-ylbut-3-en-2-one
Molecular FormulaC15H11F3N2O2S
Molecular Weight340.3
XLogP5.2
Topological Polar Surface Area90.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity505
SMILES
CC1=CC(=CC=C1)N=NC(=C(C2=CC=CS2)O)C(=O)C(F)(F)F
InChI
InChI=1S/C15H11F3N2O2S/c1-9-4-2-5-10(8-9)19-20-12(14(22)15(16,17)18)13(21)11-6-3-7-23-11/h2-8,21H,1H3
InChIKey
OETQEFUTOKYBSL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2E)-4,4,4-trifluoro-2-[(3-methylphenyl)hydrazinylidene]-1-thiophen-2-ylbutane-1,3-dione
CAS: 263890-70-6
CID: 135457124
Formula: C15H11F3N2O2S
MW: 340.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight340.3
XLogP35.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass340.04933326
Monoisotopic Mass340.04933326
Topological Polar Surface Area90.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity505
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes