E786-1982 Screening compound: N-(4-bromo-3-methylphenyl)-5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)thiophene-2-sulfonamide

E786-1982 Screening compound: N-(4-bromo-3-methylphenyl)-5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)thiophene-2-sulfonamide
E786-1982 Screening compound: N-(4-bromo-3-methylphenyl)-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 E786-1982
N-(4-bromo-3-methylphenyl)-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

E786-1982

Molecular Formula

C19H14BrN3O4S2 (C19 H14 BrN3 O4 S2)

Compound Name

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

IUPAC name

N-(4-bromo-3-methylphenyl)-5-({57-dioxo-5H6H7H-pyrrolo[34-b]pyridin-6-yl}methyl)thiophene-2-sulfonamide

SMILES

Cc(cc(cc1)NS(c2ccc(CN(C(c3c4nccc3)=O)C4=O)s2)(=O)=O)c1Br

InChI

InChI=1S/C19H14BrN3O4S2/c1-11-9-12(4-6-15(11)20)22-29(26,27)16-7-5-13(28-16)10-23-18(24)14-3-2-8-21-17(14)19(23)25/h2-9,22H,10H2,1H3

InChI Key

JRNDHMKMXFDBQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14919032

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.211

Distribution Coefficient, logD

3.113

Water Solubility, LogSw

-3.58

Polar Surface Area

81.068

Acid Dissociation Constant (pKa)

8.00

Base Dissociation Constant (pKb)

-5.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

E786-1982 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 E786-1982 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E786-1982?
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What is the minimum amount of E786-1982 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E786-1982
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E786-1982
  • 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 E786-1982 available by request