Products for Research Use Only
RegisterLogin

L 748780

CAT: 0013-GTR19200041-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19200041-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
L 748780 is a potent and selective cyclooxygenase-2 (COX-2) inhibitor. This small molecule is a valuable research tool for investigating COX-2-mediated pathways in both cellular and animal models of inflammation, pain, and cancer.
CAS Number
168086-64-4
Field of Research
Immunology & Inflammation, Neuroscience
Smiles
C (=O) (N1C=2C (C (CC (O) =O) =C1C) =CC (OC) =CC2) C3=C (Cl) C=C (Cl) C=C3Cl
Molecular Formula
C19H14Cl3NO4
Molecular Weight
426.68
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

L 748780

a selective inhibitor of inducible COX-2; structure in first source

CAS Number168086-64-4
PubChem CID127942
IUPAC Name2-[5-methoxy-2-methyl-1-(2,4,6-trichlorobenzoyl)indol-3-yl]acetic acid
Molecular FormulaC19H14Cl3NO4
Molecular Weight426.7
XLogP5.5
Topological Polar Surface Area68.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity565
SMILES
CC1=C(C2=C(N1C(=O)C3=C(C=C(C=C3Cl)Cl)Cl)C=CC(=C2)OC)CC(=O)O
InChI
InChI=1S/C19H14Cl3NO4/c1-9-12(8-17(24)25)13-7-11(27-2)3-4-16(13)23(9)19(26)18-14(21)5-10(20)6-15(18)22/h3-7H,8H2,1-2H3,(H,24,25)
InChIKey
WUJUBERMAKRECF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of L 748780
CAS: 168086-64-4
CID: 127942
Formula: C19H14Cl3NO4
MW: 426.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight426.7
XLogP35.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass424.998841
Monoisotopic Mass424.998841
Topological Polar Surface Area68.5 Ų
Heavy Atom Count27
Formal Charge0
Complexity565
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19067953-01A-L-A-L
GTR19037261-01L-Leucyl-L-prolyl-L-prolyl-L-seryl-L-arginine
GTR18896244-01A-L-A-L peptide
GTR19202675-01L, L-Dityrosine
GTR19201185-01L-CCG-l
GTR19207988L-Homopropargylglycine (L-HPG)
GTR19207987L-Homopropargylglycine (L-HPG)
GTR18918932L-​Leucyl-​L-​alanine
GTR19202672L-Valyl-L-phenylalanine
GTR18889686A-L-alpha L peptide

Alternative Products

CatalogName
MBS5774111L 748780

Popular Products