E197-1092 Screening compound: N-[(2-methoxyphenyl)methyl]-2-(N-methyl2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-sulfonamido)acetamide

E197-1092 Screening compound: N-[(2-methoxyphenyl)methyl]-2-(N-methyl2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-sulfonamido)acetamide
E197-1092 Screening compound: N-[(2-methoxyphenyl)methyl]-2-(N-methyl2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-sulfonamido)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E197-1092
N-[(2-methoxyphenyl)methyl]-2-(N-methyl2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-sulfonamido)acetamide

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

E197-1092

Molecular Formula

C20H22N4O6S (C20 H22 N4 O6 S)

Compound Name

N-[(2-methoxyphenyl)methyl]-2-(N-methyl2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-sulfonamido)acetamide

IUPAC name

N-[(2-methoxyphenyl)methyl]-2-(N-methyl25-dioxo-2345-tetrahydro-1H-14-benzodiazepine-7-sulfonamido)acetamide

SMILES

CN(CC(NCc(cccc1)c1OC)=O)S(c(cc1)cc(C(NC2)=O)c1NC2=O)(=O)=O

InChI

InChI=1S/C20H22N4O6S/c1-24(12-19(26)21-10-13-5-3-4-6-17(13)30-2)31(28,29)14-7-8-16-15(9-14)20(27)22-11-18(25)23-16/h3-9H,10-12H2,1-2H3,(H,21,26)(H,22,27)(H,23,25)

InChI Key

URCFJUOKJYUZCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14845007

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.48

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.281

Distribution Coefficient, logD

0.748

Water Solubility, LogSw

-2.68

Polar Surface Area

115.068

Acid Dissociation Constant (pKa)

7.02

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

E197-1092 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E197-1092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E197-1092?
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What is the minimum amount of E197-1092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E197-1092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E197-1092
  • 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 E197-1092 available by request