E786-1949 Screening compound: 5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-N-(3,4,5-trimethoxyphenyl)thiophene-2-sulfonamide

E786-1949 Screening compound: 5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-N-(3,4,5-trimethoxyphenyl)thiophene-2-sulfonamide
E786-1949 Screening compound: 5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-N-(3,4,5-trimethoxyphenyl)thiophene-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E786-1949
5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-N-(3,4,5-trimethoxyphenyl)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

E786-1949

Molecular Formula

C21H19N3O7S2 (C21 H19 N3 O7 S2)

Compound Name

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

IUPAC name

5-({57-dioxo-5H6H7H-pyrrolo[34-b]pyridin-6-yl}methyl)-N-(345-trimethoxyphenyl)thiophene-2-sulfonamide

SMILES

COc1cc(NS(c2ccc(CN(C(c3c4nccc3)=O)C4=O)s2)(=O)=O)cc(OC)c1OC

InChI

InChI=1S/C21H19N3O7S2/c1-29-15-9-12(10-16(30-2)19(15)31-3)23-33(27,28)17-7-6-13(32-17)11-24-20(25)14-5-4-8-22-18(14)21(24)26/h4-10,23H,11H2,1-3H3

InChI Key

KSDJWURLLVRPGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14919009

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.53

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.277

Distribution Coefficient, logD

0.941

Water Solubility, LogSw

-2.57

Polar Surface Area

104.046

Acid Dissociation Constant (pKa)

7.33

Base Dissociation Constant (pKb)

-5.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

E786-1949 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with E786-1949 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E786-1949?
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What is the minimum amount of E786-1949 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E786-1949
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E786-1949
  • 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 E786-1949 available by request