E197-1098 Screening compound: 2-(N-methyl2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-sulfonamido)-N-[4-(propan-2-yl)phenyl]acetamide

E197-1098 Screening compound: 2-(N-methyl2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-sulfonamido)-N-[4-(propan-2-yl)phenyl]acetamide
E197-1098 Screening compound: 2-(N-methyl2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-sulfonamido)-N-[4-(propan-2-yl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E197-1098
2-(N-methyl2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-sulfonamido)-N-[4-(propan-2-yl)phenyl]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

E197-1098

Molecular Formula

C21H24N4O5S (C21 H24 N4 O5 S)

Compound Name

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

IUPAC name

2-(N-methyl25-dioxo-2345-tetrahydro-1H-14-benzodiazepine-7-sulfonamido)-N-[4-(propan-2-yl)phenyl]acetamide

SMILES

CC(C)c(cc1)ccc1NC(CN(C)S(c(cc1)cc(C(NC2)=O)c1NC2=O)(=O)=O)=O

InChI

InChI=1S/C21H24N4O5S/c1-13(2)14-4-6-15(7-5-14)23-20(27)12-25(3)31(29,30)16-8-9-18-17(10-16)21(28)22-11-19(26)24-18/h4-10,13H,11-12H2,1-3H3,(H,22,28)(H,23,27)(H,24,26)

InChI Key

PRRXIHPKZQVPPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14845008

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.820

Distribution Coefficient, logD

2.287

Water Solubility, LogSw

-3.60

Polar Surface Area

106.115

Acid Dissociation Constant (pKa)

7.02

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

E197-1098 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)

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 E197-1098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E197-1098?
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What is the minimum amount of E197-1098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E197-1098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E197-1098
  • 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 E197-1098 available by request