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KT172

CAT: 0931-T70756-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T70756-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1402612-56-9
Target
Others
Related Pathways
Others
Bioactivity
KT172, a DAGLβ inhibitor, exhibits an IC50 value of 11 nM and has applications in metabolic and inflammatory research.
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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