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BIP-135

CAT: 0931-T14613-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T14613-07Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
941575-71-9
Target
GSK-3
Related Pathways
Stem Cells, PI3K/Akt/mTOR signaling
Purity
0.9993
Bioactivity
BIP-135 is a potent and selective ATP-competitive GSK-3 inhibitor, with IC50 values of 16 nM and 21 nM for GSK-3α and GSK-3β, respectively, and exhibits neuroprotective effects [1].
Smiles
Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cc(Br)ccc12
Molecular Formula
C21H13BrN2O3
Molecular Weight
421.24
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-(benzofuran-3-yl)-4-(5-bromo-1-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione
CAS Number941575-71-9
PubChem CID16741475
IUPAC Name3-(1-benzofuran-3-yl)-4-(5-bromo-1-methylindol-3-yl)pyrrole-2,5-dione
Molecular FormulaC21H13BrN2O3
Molecular Weight421.2
XLogP3.7
Topological Polar Surface Area64.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity693
SMILES
CN1C=C(C2=C1C=CC(=C2)Br)C3=C(C(=O)NC3=O)C4=COC5=CC=CC=C54
InChI
InChI=1S/C21H13BrN2O3/c1-24-9-14(13-8-11(22)6-7-16(13)24)18-19(21(26)23-20(18)25)15-10-27-17-5-3-2-4-12(15)17/h2-10H,1H3,(H,23,25,26)
InChIKey
QKQJCKAXFJBYKJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(benzofuran-3-yl)-4-(5-bromo-1-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione
CAS: 941575-71-9
CID: 16741475
Formula: C21H13BrN2O3
MW: 421.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight421.2
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass420.01095
Monoisotopic Mass420.01095
Topological Polar Surface Area64.2 Ų
Heavy Atom Count27
Formal Charge0
Complexity693
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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