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BRD3731

CAT: 1410-M13196-01Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1410-M13196-01Size:1 Each
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BRD3731 is a potent, selective GSK3β inhibitor with IC50 of 15 nM, 14-fold selectivity for GSK3β over GSK3α (IC50=215 nM) .
CAS Number
2056262-08-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
377.532
Molecular Formula
C24H31N3O
Notes
Research use only, not for human use.
Receptor
GSK-3

Chemical Information

CID 154828619
CAS Number2056262-08-7
PubChem CID154828619
IUPAC Name(4R)-3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one
Molecular FormulaC24H31N3O
Molecular Weight377.5
XLogP5.6
Topological Polar Surface Area57.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity668
SMILES
C[C@@]1(C2=C(CC(CC2=O)(C)C)NC3=NNC(=C31)CC(C)(C)C)C4=CC=CC=C4
InChI
InChI=1S/C24H31N3O/c1-22(2,3)12-17-20-21(27-26-17)25-16-13-23(4,5)14-18(28)19(16)24(20,6)15-10-8-7-9-11-15/h7-11H,12-14H2,1-6H3,(H2,25,26,27)/t24-/m0/s1
InChIKey
YZRXTIGAQRIAEX-DEOSSOPVSA-N
Chemical Structure
2D Structure
2D structure of CID 154828619
CAS: 2056262-08-7
CID: 154828619
Formula: C24H31N3O
MW: 377.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight377.5
XLogP35.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass377.246712621
Monoisotopic Mass377.246712621
Topological Polar Surface Area57.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity668
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
M16938BRD5631

Alternative Products

CatalogName
GHD26207-01BRD3731
T39457-01(R)-BRD3731
HY-124607-01(R) -BRD3731

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