E786-2005 Screening compound: 5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-N-(2-ethoxyphenyl)thiophene-2-sulfonamide

E786-2005 Screening compound: 5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-N-(2-ethoxyphenyl)thiophene-2-sulfonamide
E786-2005 Screening compound: 5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-N-(2-ethoxyphenyl)thiophene-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E786-2005
5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-N-(2-ethoxyphenyl)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

E786-2005

Molecular Formula

C20H17N3O5S2 (C20 H17 N3 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cccc1)c1NS(c1ccc(CN(C(c2c3nccc2)=O)C3=O)s1)(=O)=O

InChI

InChI=1S/C20H17N3O5S2/c1-2-28-16-8-4-3-7-15(16)22-30(26,27)17-10-9-13(29-17)12-23-19(24)14-6-5-11-21-18(14)20(23)25/h3-11,22H,2,12H2,1H3

InChI Key

URHLVVWXGBCCSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14919049

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.256

Distribution Coefficient, logD

2.191

Water Solubility, LogSw

-2.97

Polar Surface Area

87.581

Acid Dissociation Constant (pKa)

8.19

Base Dissociation Constant (pKb)

-5.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

E786-2005 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 E786-2005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E786-2005?
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What is the minimum amount of E786-2005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E786-2005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E786-2005
  • 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 E786-2005 available by request