E786-2047 Screening compound: N-(2-chloro-4,6-dimethoxyphenyl)-5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)thiophene-2-sulfonamide

E786-2047 Screening compound: N-(2-chloro-4,6-dimethoxyphenyl)-5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)thiophene-2-sulfonamide
E786-2047 Screening compound: N-(2-chloro-4,6-dimethoxyphenyl)-5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)thiophene-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E786-2047
N-(2-chloro-4,6-dimethoxyphenyl)-5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)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

E786-2047

Molecular Formula

C20H16ClN3O6S2 (C20 H16 ClN3 O6 S2)

Compound Name

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

IUPAC name

N-(2-chloro-46-dimethoxyphenyl)-5-({57-dioxo-5H6H7H-pyrrolo[34-b]pyridin-6-yl}methyl)thiophene-2-sulfonamide

SMILES

COc(cc1OC)cc(Cl)c1NS(c1ccc(CN(C(c2c3nccc2)=O)C3=O)s1)(=O)=O

InChI

InChI=1S/C20H16ClN3O6S2/c1-29-11-8-14(21)18(15(9-11)30-2)23-32(27,28)16-6-5-12(31-16)10-24-19(25)13-4-3-7-22-17(13)20(24)26/h3-9,23H,10H2,1-2H3

InChI Key

RIFXKXOKJVOKPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14919077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.95

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.009

Distribution Coefficient, logD

0.552

Water Solubility, LogSw

-3.20

Polar Surface Area

94.847

Acid Dissociation Constant (pKa)

5.96

Base Dissociation Constant (pKb)

-5.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

E786-2047 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 E786-2047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E786-2047?
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What is the minimum amount of E786-2047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E786-2047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E786-2047
  • 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 E786-2047 available by request