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Bisindolylmaleimide III

CAT: 0498-bs-75401C-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0498-bs-75401C-01Size:1 mg
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CAS Number
137592-43-9
Conjugation
Unconjugated
Purity
>98% (NMR)
Buffer
Solid
Solubility
Soluble in methanol or DMSO.
Smiles
NCCCN1C=C(C2=C1C=CC=C2)C1=C(C(=O)NC1=O)C1=CNC2=C1C=CC=C2
Molecular Formula
C23H20N4O2
Molecular Weight
384.4
Storage Conditions
Stable for 2 years after receipt when stored at -20°C. Store solutions at -20°C in the dark.
Appearance
Red solid.

Chemical Information

Bisindolylmaleimide III

Bisindolylmaleimide III is a member of indoles and a member of maleimides. It has a role as an EC 2.7.11.13 (protein kinase C) inhibitor. It is functionally related to a maleimide.

CAS Number137592-43-9
PubChem CID2398
IUPAC Name3-[1-(3-aminopropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
Molecular FormulaC23H20N4O2
Molecular Weight384.4
XLogP2.1
Topological Polar Surface Area92.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity705
SMILES
C1=CC=C2C(=C1)C(=CN2)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCN
InChI
InChI=1S/C23H20N4O2/c24-10-5-11-27-13-17(15-7-2-4-9-19(15)27)21-20(22(28)26-23(21)29)16-12-25-18-8-3-1-6-14(16)18/h1-4,6-9,12-13,25H,5,10-11,24H2,(H,26,28,29)
InChIKey
APYXQTXFRIDSGE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bisindolylmaleimide III
CAS: 137592-43-9
CID: 2398
Formula: C23H20N4O2
MW: 384.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight384.4
XLogP32.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass384.15862589
Monoisotopic Mass384.15862589
Topological Polar Surface Area92.9 Ų
Heavy Atom Count29
Formal Charge0
Complexity705
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