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BRD0209

CAT: 0931-T26894-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T26894-01Size:2 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1597439-87-6
Target
GSK-3
Related Pathways
Stem Cells, PI3K/Akt/mTOR signaling
Purity
0.9992
Bioactivity
BRD0209 is a highly selective and potent GSK3 inhibitor.
Smiles
C[C@@]1(C2=C(NN=C2NC3=C1C(=O)CC(C)(C)C3)C4CC4)C5=CC=CC=C5
Molecular Formula
C22H25N3O
Molecular Weight
347.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(S)-3-Cyclopropyl-4,7,7-trimethyl-4-phenyl-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
CAS Number1597439-87-6
PubChem CID135567204
IUPAC Name(4S)-3-cyclopropyl-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one
Molecular FormulaC22H25N3O
Molecular Weight347.5
XLogP4.2
Topological Polar Surface Area57.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity644
SMILES
C[C@]1(C2=C(CC(CC2=O)(C)C)NC3=NNC(=C31)C4CC4)C5=CC=CC=C5
InChI
InChI=1S/C22H25N3O/c1-21(2)11-15-17(16(26)12-21)22(3,14-7-5-4-6-8-14)18-19(13-9-10-13)24-25-20(18)23-15/h4-8,13H,9-12H2,1-3H3,(H2,23,24,25)/t22-/m1/s1
InChIKey
YKPIWOGXCSQLFH-JOCHJYFZSA-N
Chemical Structure
2D Structure
2D structure of (S)-3-Cyclopropyl-4,7,7-trimethyl-4-phenyl-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
CAS: 1597439-87-6
CID: 135567204
Formula: C22H25N3O
MW: 347.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight347.5
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass347.199762429
Monoisotopic Mass347.199762429
Topological Polar Surface Area57.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity644
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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