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BRD3731

CAT: 0013-GTR19186959-01Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19186959-01Size:1 ml x 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BRD3731 is a potent and selective GSK3β inhibitor (IC50 = 15 nM) with significant research potential. Its application extends to preclinical studies for neurological and metabolic disorders, including PTSD, diabetes, and neurodegeneration, as evidenced in both cellular and animal model research.
CAS Number
2056262-07-6
Field of Research
Signal Transduction, Stem Cell & Developmental Biology
Smiles
CC (C) (C) CC1=C2C (NN1) =NC1=C (C (=O) CC (C) (C) C1) [C@@]2 (C) c1ccccc1
Molecular Formula
C24H31N3O
Molecular Weight
377.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 135567205
CAS Number2056262-07-6
PubChem CID135567205
IUPAC Name(4S)-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-/m1/s1
InChIKey
YZRXTIGAQRIAEX-XMMPIXPASA-N
Chemical Structure
2D Structure
2D structure of CID 135567205
CAS: 2056262-07-6
CID: 135567205
Formula: C24H31N3O
MW: 377.5
Interactive 3D Structure
Loading 3D structure...
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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

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