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BRD5648

CAT: 0931-T10608-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T10608-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2056261-42-6
Target
GSK-3
Related Pathways
Stem Cells, PI3K/Akt/mTOR signaling
Purity
0.9989
Bioactivity
BRD5648 ((R) -BRD0705) is an inactive (R) -enantiomer of BRD0705, a GSK3α inhibitor with an IC50 of 66 nM and a Kd of 4.8 μM, used in acute myeloid leukemia [AML] studies.
Smiles
CC[C@]1(C2=CNNC2=NC2=C1C(=O)CC(C)(C)C2)c1ccccc1
Molecular Formula
C20H23N3O
Molecular Weight
321.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(4R)-4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one
CAS Number2056261-42-6
PubChem CID136980414
IUPAC Name(4R)-4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one
Molecular FormulaC20H23N3O
Molecular Weight321.4
XLogP4.2
Topological Polar Surface Area57.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity561
SMILES
CC[C@]1(C2=C(NC3=C1C(=O)CC(C3)(C)C)NN=C2)C4=CC=CC=C4
InChI
InChI=1S/C20H23N3O/c1-4-20(13-8-6-5-7-9-13)14-12-21-23-18(14)22-15-10-19(2,3)11-16(24)17(15)20/h5-9,12H,4,10-11H2,1-3H3,(H2,21,22,23)/t20-/m1/s1
InChIKey
NCKLQXXBRWCYMA-HXUWFJFHSA-N
Chemical Structure
2D Structure
2D structure of (4R)-4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one
CAS: 2056261-42-6
CID: 136980414
Formula: C20H23N3O
MW: 321.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight321.4
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass321.184112366
Monoisotopic Mass321.184112366
Topological Polar Surface Area57.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity561
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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