E197-1009 Screening compound: N-(3-methoxyphenyl)-2-(N-methyl2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-sulfonamido)acetamide

E197-1009 Screening compound: N-(3-methoxyphenyl)-2-(N-methyl2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-sulfonamido)acetamide
E197-1009 Screening compound: N-(3-methoxyphenyl)-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 E197-1009
N-(3-methoxyphenyl)-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

E197-1009

Molecular Formula

C19H20N4O6S (C19 H20 N4 O6 S)

Compound Name

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

IUPAC name

N-(3-methoxyphenyl)-2-(N-methyl25-dioxo-2345-tetrahydro-1H-14-benzodiazepine-7-sulfonamido)acetamide

SMILES

CN(CC(Nc1cc(OC)ccc1)=O)S(c(cc1)cc(C(NC2)=O)c1NC2=O)(=O)=O

InChI

InChI=1S/C19H20N4O6S/c1-23(11-18(25)21-12-4-3-5-13(8-12)29-2)30(27,28)14-6-7-16-15(9-14)19(26)20-10-17(24)22-16/h3-9H,10-11H2,1-2H3,(H,20,26)(H,21,25)(H,22,24)

InChI Key

NXMJICNPXXMDIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14844997

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.46

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.549

Distribution Coefficient, logD

1.015

Water Solubility, LogSw

-2.79

Polar Surface Area

113.659

Acid Dissociation Constant (pKa)

7.02

Base Dissociation Constant (pKb)

-0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.05

E197-1009 in Drug Discovery

Included in Screening Libraries

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

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

References: we are preparing a list of scientific research reports with E197-1009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E197-1009?
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What is the minimum amount of E197-1009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E197-1009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E197-1009
  • 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 E197-1009 available by request