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TMP-153

CAT: 1106-BML-EI317-0020Size: 20 mgDry Ice: NoHazardous: No
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CAT#:1106-BML-EI317-0020Size:20 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
128831-46-9
Certification
RUO
Target
ACAT
Type
Inhibitor
Stability
As indicated on product label or CoA when stored as recommended.
Purity
≥98%
Solubility
Soluble in DMSO (>25mg/ml) or ethanol (10mg/ml with warming) .
Molecular Formula
C 24 H 18 ClF 2 N 3 O
Molecular Weight
437.9
Shipping Conditions
Ambient Temperature
Storage Conditions
Ambient
Appearance
White solid.

Chemical Information

N-(4-(2-Chlorophenyl)-6,7-dimethyl-3-quinolyl)-N'-(2,4-difluorophenyl)urea

an acyl-CoA:cholesterol aceyltransferase inhibitor; structure given in first source

CAS Number128831-46-9
PubChem CID125289
IUPAC Name1-[4-(2-chlorophenyl)-6,7-dimethylquinolin-3-yl]-3-(2,4-difluorophenyl)urea
Molecular FormulaC24H18ClF2N3O
Molecular Weight437.9
XLogP5.9
Topological Polar Surface Area54
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity626
SMILES
CC1=CC2=C(C(=CN=C2C=C1C)NC(=O)NC3=C(C=C(C=C3)F)F)C4=CC=CC=C4Cl
InChI
InChI=1S/C24H18ClF2N3O/c1-13-9-17-21(10-14(13)2)28-12-22(23(17)16-5-3-4-6-18(16)25)30-24(31)29-20-8-7-15(26)11-19(20)27/h3-12H,1-2H3,(H2,29,30,31)
InChIKey
FFKNNBNIAHVVCU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-(2-Chlorophenyl)-6,7-dimethyl-3-quinolyl)-N'-(2,4-difluorophenyl)urea
CAS: 128831-46-9
CID: 125289
Formula: C24H18ClF2N3O
MW: 437.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight437.9
XLogP35.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass437.1106462
Monoisotopic Mass437.1106462
Topological Polar Surface Area54 Ų
Heavy Atom Count31
Formal Charge0
Complexity626
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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