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LX-3

CAT: 0931-T69321-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T69321-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
380645-50-1
Target
Others, p38 MAPK
Related Pathways
MAPK, Others
Bioactivity
LX-3 is a selective activator of the p38 mitogen-activated protein kinase (MAPK) pathway, which de-represses a subset of endogenous genes repressed by DNA methylation.
Smiles
C(C(=O)C1=CC=C(Br)C=C1)N2C=3N(C=4C2=CC=CC4)N=C(N3)C5=CC=CS5
Molecular Formula
C20H13BrN4OS
Molecular Weight
437.31
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-(4-Bromophenyl)-2-(2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone
CAS Number380645-50-1
PubChem CID1038266
IUPAC Name1-(4-bromophenyl)-2-(2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone
Molecular FormulaC20H13BrN4OS
Molecular Weight437.3
XLogP4.9
Topological Polar Surface Area80.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity558
SMILES
C1=CC=C2C(=C1)N(C3=NC(=NN23)C4=CC=CS4)CC(=O)C5=CC=C(C=C5)Br
InChI
InChI=1S/C20H13BrN4OS/c21-14-9-7-13(8-10-14)17(26)12-24-15-4-1-2-5-16(15)25-20(24)22-19(23-25)18-6-3-11-27-18/h1-11H,12H2
InChIKey
QJVGAFUMIASPNC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-Bromophenyl)-2-(2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone
CAS: 380645-50-1
CID: 1038266
Formula: C20H13BrN4OS
MW: 437.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight437.3
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass435.99934
Monoisotopic Mass435.99934
Topological Polar Surface Area80.4 Ų
Heavy Atom Count27
Formal Charge0
Complexity558
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

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