E138-0190 Screening compound: N-(3-CHLORO-4-METHYLPHENYL)-1,5-DIMETHYL-2,4-DIOXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE-7-SULFONAMIDE

E138-0190 Screening compound: N-(3-CHLORO-4-METHYLPHENYL)-1,5-DIMETHYL-2,4-DIOXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE-7-SULFONAMIDE
E138-0190 Screening compound: N-(3-CHLORO-4-METHYLPHENYL)-1,5-DIMETHYL-2,4-DIOXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE-7-SULFONAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound E138-0190
N-(3-CHLORO-4-METHYLPHENYL)-1,5-DIMETHYL-2,4-DIOXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE-7-SULFONAMIDE

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

E138-0190

Molecular Formula

C18H18ClN3O4S (C18 H18 ClN3 O4 S)

Compound Name

N-(3-CHLORO-4-METHYLPHENYL)-1,5-DIMETHYL-2,4-DIOXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE-7-SULFONAMIDE

IUPAC name

N-(3-chloro-4-methylphenyl)-15-dimethyl-24-dioxo-2345-tetrahydro-1H-15-benzodiazepine-7-sulfonamide

SMILES

Cc(ccc(NS(c(cc1)cc(N(C)C(C2)=O)c1N(C)C2=O)(=O)=O)c1)c1Cl

InChI

InChI=1S/C18H18ClN3O4S/c1-11-4-5-12(8-14(11)19)20-27(25,26)13-6-7-15-16(9-13)22(3)18(24)10-17(23)21(15)2/h4-9,20H,10H2,1-3H3

InChI Key

VDYOGWAQXNIAOA-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.88

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.760

Distribution Coefficient, logD

2.509

Water Solubility, LogSw

-3.45

Polar Surface Area

72.134

Acid Dissociation Constant (pKa)

7.51

Base Dissociation Constant (pKb)

-2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

E138-0190 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E138-0190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E138-0190?
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What is the minimum amount of E138-0190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E138-0190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E138-0190
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of E138-0190 available by request