Products for Research Use Only

ELOVL6-IN-1

CAT: 1410-M23355-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M23355-01Size:5 mg
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Description
ELOVL6-IN-1 is a potent, orally active and selective ELOVL6 inhibitor. ELOVL6-IN-1 dose-dependently inhibits mouse ELOVL6 activities.
CAS Number
1185736-98-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
495.49
Molecular Formula
C27H24F3N3O3
Notes
Research use only, not for human use.
Receptor
ELOVL6

Chemical Information

Elovl6-IN-1
CAS Number1185736-98-4
PubChem CID91173937
IUPAC Name5,5-dimethyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-phenyl-3-(trifluoromethyl)-6,7-dihydroindole-2,4-dione
Molecular FormulaC27H24F3N3O3
Molecular Weight495.5
XLogP4.7
Topological Polar Surface Area69.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count36
Formal Charge0
Complexity1050
SMILES
CC1=C(C(=O)N(N1)C2=CC=CC=C2)C3(C4=C(CCC(C4=O)(C)C)N(C3=O)C5=CC=CC=C5)C(F)(F)F
InChI
InChI=1S/C27H24F3N3O3/c1-16-20(23(35)33(31-16)18-12-8-5-9-13-18)26(27(28,29)30)21-19(14-15-25(2,3)22(21)34)32(24(26)36)17-10-6-4-7-11-17/h4-13,31H,14-15H2,1-3H3
InChIKey
YLZCSZJXSITBSE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Elovl6-IN-1
CAS: 1185736-98-4
CID: 91173937
Formula: C27H24F3N3O3
MW: 495.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight495.5
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass495.17697612
Monoisotopic Mass495.17697612
Topological Polar Surface Area69.7 Ų
Heavy Atom Count36
Formal Charge0
Complexity1050
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