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ELOVL6-IN-2

CAT: 1410-M23274-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M23274-01Size:5 mg
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Description
ELOVL6-IN-2 is a orally active and selective ELOVL6 inhibitor.
CAS Number
1067647-43-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
579.49
Molecular Formula
C28H23F6N3O4
Notes
Research use only, not for human use.
Receptor
ELOVL6

Chemical Information

6,6-dimethyl-3-(5-methyl-3-oxo-2-(4-(trifluoromethoxy)phenyl)-2,3-dihydro-1H-pyrazol-4-yl)-1-phenyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione
CAS Number1067647-43-1
PubChem CID44139567
IUPAC Name6,6-dimethyl-3-[5-methyl-3-oxo-2-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]-1-phenyl-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione
Molecular FormulaC28H23F6N3O4
Molecular Weight579.5
XLogP5.8
Topological Polar Surface Area79
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Heavy Atom Count41
Formal Charge0
Complexity1190
SMILES
CC1=C(C(=O)N(N1)C2=CC=C(C=C2)OC(F)(F)F)C3(C4=C(CC(CC4=O)(C)C)N(C3=O)C5=CC=CC=C5)C(F)(F)F
InChI
InChI=1S/C28H23F6N3O4/c1-15-21(23(39)37(35-15)17-9-11-18(12-10-17)41-28(32,33)34)26(27(29,30)31)22-19(13-25(2,3)14-20(22)38)36(24(26)40)16-7-5-4-6-8-16/h4-12,35H,13-14H2,1-3H3
InChIKey
XLEVMSDNWOWFNX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6,6-dimethyl-3-(5-methyl-3-oxo-2-(4-(trifluoromethoxy)phenyl)-2,3-dihydro-1H-pyrazol-4-yl)-1-phenyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione
CAS: 1067647-43-1
CID: 44139567
Formula: C28H23F6N3O4
MW: 579.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight579.5
XLogP35.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Exact Mass579.15927520
Monoisotopic Mass579.15927520
Topological Polar Surface Area79 Ų
Heavy Atom Count41
Formal Charge0
Complexity1190
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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