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CCT020312

CAT: 1410-M33308-07Size: 500 mgDry Ice: NoHazardous: No
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CAT#:1410-M33308-07Size:500 mg
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Description
CCT020312 (0-9 µM, 24 h) treatment of medium HT29 cells for 24 h resulted in a concentration-dependent loss of P-S608-pRB signaling with linear response values between 1.8 and 6.1 µM.
CAS Number
324759-76-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
650.4
Molecular Formula
C31H30Br2N4O2
Notes
Research use only, not for human use.
Receptor
PERK

Chemical Information

6-Bromo-3-[3-(4-bromophenyl)-2-[3-(diethylamino)propanoyl]-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one
CAS Number324759-76-4
PubChem CID3108148
IUPAC Name6-bromo-3-[3-(4-bromophenyl)-2-[3-(diethylamino)propanoyl]-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one
Molecular FormulaC31H30Br2N4O2
Molecular Weight650.4
XLogP5.6
Topological Polar Surface Area65
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count39
Formal Charge0
Complexity950
SMILES
CCN(CC)CCC(=O)N1C(CC(=N1)C2=C(C3=C(C=CC(=C3)Br)NC2=O)C4=CC=CC=C4)C5=CC=C(C=C5)Br
InChI
InChI=1S/C31H30Br2N4O2/c1-3-36(4-2)17-16-28(38)37-27(20-10-12-22(32)13-11-20)19-26(35-37)30-29(21-8-6-5-7-9-21)24-18-23(33)14-15-25(24)34-31(30)39/h5-15,18,27H,3-4,16-17,19H2,1-2H3,(H,34,39)
InChIKey
OAXDKXMGESZLKV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Bromo-3-[3-(4-bromophenyl)-2-[3-(diethylamino)propanoyl]-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one
CAS: 324759-76-4
CID: 3108148
Formula: C31H30Br2N4O2
MW: 650.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight650.4
XLogP35.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass650.07150
Monoisotopic Mass648.07355
Topological Polar Surface Area65 Ų
Heavy Atom Count39
Formal Charge0
Complexity950
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