E734-2719 Screening compound: 4-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-N-[3-(methylsulfanyl)phenyl]benzene-1-sulfonamide

E734-2719 Screening compound: 4-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-N-[3-(methylsulfanyl)phenyl]benzene-1-sulfonamide
E734-2719 Screening compound: 4-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-N-[3-(methylsulfanyl)phenyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E734-2719
4-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-N-[3-(methylsulfanyl)phenyl]benzene-1-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

E734-2719

Molecular Formula

C21H17N3O4S2 (C21 H17 N3 O4 S2)

Compound Name

4-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-N-[3-(methylsulfanyl)phenyl]benzene-1-sulfonamide

IUPAC name

4-({57-dioxo-5H6H7H-pyrrolo[34-b]pyridin-6-yl}methyl)-N-[3-(methylsulfanyl)phenyl]benzene-1-sulfonamide

SMILES

CSc1cccc(NS(c2ccc(CN(C(c3c4nccc3)=O)C4=O)cc2)(=O)=O)c1

InChI

InChI=1S/C21H17N3O4S2/c1-29-16-5-2-4-15(12-16)23-30(27,28)17-9-7-14(8-10-17)13-24-20(25)18-6-3-11-22-19(18)21(24)26/h2-12,23H,13H2,1H3

InChI Key

KVVJRFNXTDAMGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14913851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.446

Distribution Coefficient, logD

2.421

Water Solubility, LogSw

-3.12

Polar Surface Area

80.050

Acid Dissociation Constant (pKa)

8.63

Base Dissociation Constant (pKb)

-6.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

E734-2719 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Digestive system
  • Nervous system
Targets:
  • Proteases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E734-2719 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E734-2719?
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What is the minimum amount of E734-2719 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E734-2719
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E734-2719
  • 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 E734-2719 available by request