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KT172

CAT: 0013-GTR19209096-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209096-02Size:10 mg
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Description
KT172 is a potent and selective DAGLβ inhibitor with an IC50 of 11 nM. This small molecule is a valuable research tool for studying endocannabinoid signaling in metabolic and inflammatory diseases, applicable in both in vitro and in vivo experimental models.
CAS Number
1402612-56-9
Smiles
C (=O) (N1C (CC2=CC=CC=C2) CCCC1) N3C=C (N=N3) C4=CC=C (C=C4) C5=C (OC) C=CC=C5
Molecular Formula
C28H28N4O2
Molecular Weight
452.55
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Methanone, [4-(2'-Methoxy[1,1'-biphenyl]-4-yl)-1H-1,2,3-triazol-1-yl][2-(phenylMethyl)-1-piperidinyl]-
CAS Number1402612-56-9
PubChem CID53364485
IUPAC Name(2-benzylpiperidin-1-yl)-[4-[4-(2-methoxyphenyl)phenyl]triazol-1-yl]methanone
Molecular FormulaC28H28N4O2
Molecular Weight452.5
XLogP5.7
Topological Polar Surface Area60.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity646
SMILES
COC1=CC=CC=C1C2=CC=C(C=C2)C3=CN(N=N3)C(=O)N4CCCCC4CC5=CC=CC=C5
InChI
InChI=1S/C28H28N4O2/c1-34-27-13-6-5-12-25(27)22-14-16-23(17-15-22)26-20-32(30-29-26)28(33)31-18-8-7-11-24(31)19-21-9-3-2-4-10-21/h2-6,9-10,12-17,20,24H,7-8,11,18-19H2,1H3
InChIKey
MXVVJNJNDCJCFS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methanone, [4-(2'-Methoxy[1,1'-biphenyl]-4-yl)-1H-1,2,3-triazol-1-yl][2-(phenylMethyl)-1-piperidinyl]-
CAS: 1402612-56-9
CID: 53364485
Formula: C28H28N4O2
MW: 452.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight452.5
XLogP35.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass452.22122615
Monoisotopic Mass452.22122615
Topological Polar Surface Area60.3 Ų
Heavy Atom Count34
Formal Charge0
Complexity646
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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