4286-0151 Screening compound: ethyl 8-bromo-2,3-dimethyl-4,5-dioxo-3H,4H,5H-benzo[e]indole-1-carboxylate
Chemical Structure Depiction of ChemDiv screening compound 4286-0151
ethyl 8-bromo-2,3-dimethyl-4,5-dioxo-3H,4H,5H-benzo[e]indole-1-carboxylate
Available from 1 mg
Formats:
- Glass Vials (4ml Glass Vials VWR #97047-678)
- 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)
Shiptime: 1 week worldwide delivery in most cases
Compound Identifiers
ChemDiv Compound ID
4286-0151
Molecular Formula
C17H14BrNO4 (C17 H14 BrNO4)
Compound Name
ethyl 8-bromo-2,3-dimethyl-4,5-dioxo-3H,4H,5H-benzo[e]indole-1-carboxylate
IUPAC name
ethyl 8-bromo-23-dimethyl-45-dioxo-3H4H5H-benzo[e]indole-1-carboxylate
SMILES
CCOC(c1c(C)n(C)c(C2=O)c1-c(cc(cc1)Br)c1C2=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
376.21
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
3.250
Distribution Coefficient, logD
3.250
Water Solubility, LogSw
-3.66
Polar Surface Area
49.354
Acid Dissociation Constant (pKa)
30.08
Base Dissociation Constant (pKb)
-3.37
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
23.50
4286-0151 in Drug Discovery
Included in Screening Libraries
Antiviral Annotated Library (21441 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Human GPCR Annotated Library (5539 compounds)
Human Proteases Annotated Library (2868 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with 4286-0151 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)