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CAS 113963-68-1 Bisindolylmaleimide V molecular structure lightbox
CAS RN: 113963-68-1

Bisindolylmaleimide V

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7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260215 25mg / 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260122 100mg In stock Shanghai Inquiry
Batchno.20250720 10mg In stock Shanghai Inquiry
Batchno.20260112 1g In stock Shanghai Inquiry
Batchno.20250315 1mg In stock Shanghai Inquiry
Batchno.20260427 250mg In stock Shanghai Inquiry
Batchno.20250924 5mg In stock Shanghai Inquiry
  • Product code: ICTB6143
  • Purity/Analytical Methods: >97.0%(HPLC)
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113963-68-1 / 3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-dione

bisindolylmaleimide v | DTXSID50150620 | 2,3-bis(indol-3-yl)-N-methylmaleimide

Standard CAS: 113963-68-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
113963-68-1
Multi CAS
Yes
Molecular Formula
C21H15N3O2
Molecular Weight
341.400000
Exact Mass
341.116427
SMILES
CN1C(=O)C(=C(C1=O)C2=CNC3=CC=CC=C32)C4=CNC5=CC=CC=C54
InChI
InChI=1S/C21H15N3O2/c1-24-20(25)18(14-10-22-16-8-4-2-6-12(14)16)19(21(24)26)15-11-23-17-9-5-3-7-13(15)17/h2-11,22-23H,1H3
InChIKey
SWAWYMIKGOHZMR-UHFFFAOYSA-N
Synonyms
bisindolylmaleimide v DTXSID50150620 2,3-bis(indol-3-yl)-N-methylmaleimide RefChem:917328 DTXCID5073111

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
18
Fraction Csp3
0.05
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
101.19
TPSA
68.96

LogP / Solubility

WLOGP
3.56
MLOGP
3.15
XLogP3
3
Consensus LogP
3.24
Log S (ESOL)
-4.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.07
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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