E786-1983 Screening compound: 5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-N-(2-ethyl-6-methylphenyl)thiophene-2-sulfonamide

E786-1983 Screening compound: 5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-N-(2-ethyl-6-methylphenyl)thiophene-2-sulfonamide
E786-1983 Screening compound: 5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-N-(2-ethyl-6-methylphenyl)thiophene-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E786-1983
5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-N-(2-ethyl-6-methylphenyl)thiophene-2-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

E786-1983

Molecular Formula

C21H19N3O4S2 (C21 H19 N3 O4 S2)

Compound Name

5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-N-(2-ethyl-6-methylphenyl)thiophene-2-sulfonamide

IUPAC name

5-({57-dioxo-5H6H7H-pyrrolo[34-b]pyridin-6-yl}methyl)-N-(2-ethyl-6-methylphenyl)thiophene-2-sulfonamide

SMILES

CCc(cccc1C)c1NS(c1ccc(CN(C(c2c3nccc2)=O)C3=O)s1)(=O)=O

InChI

InChI=1S/C21H19N3O4S2/c1-3-14-7-4-6-13(2)18(14)23-30(27,28)17-10-9-15(29-17)12-24-20(25)16-8-5-11-22-19(16)21(24)26/h4-11,23H,3,12H2,1-2H3

InChI Key

BKCVZLAHFBNQNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14919033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.735

Distribution Coefficient, logD

2.733

Water Solubility, LogSw

-3.27

Polar Surface Area

79.673

Acid Dissociation Constant (pKa)

9.58

Base Dissociation Constant (pKb)

-5.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

E786-1983 in Drug Discovery

Included in Screening Libraries

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

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 E786-1983 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E786-1983?
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What is the minimum amount of E786-1983 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E786-1983
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E786-1983
  • 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 E786-1983 available by request