E786-2046 Screening compound: N-(3-bromophenyl)-5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)thiophene-2-sulfonamide

E786-2046 Screening compound: N-(3-bromophenyl)-5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)thiophene-2-sulfonamide
E786-2046 Screening compound: N-(3-bromophenyl)-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 E786-2046
N-(3-bromophenyl)-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

E786-2046

Molecular Formula

C18H12BrN3O4S2 (C18 H12 BrN3 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1c2nccc1)N(Cc(s1)ccc1S(Nc1cccc(Br)c1)(=O)=O)C2=O

InChI

InChI=1S/C18H12BrN3O4S2/c19-11-3-1-4-12(9-11)21-28(25,26)15-7-6-13(27-15)10-22-17(23)14-5-2-8-20-16(14)18(22)24/h1-9,21H,10H2

InChI Key

GYETVJUCDUOAQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14919076

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.35

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

2.844

Distribution Coefficient, logD

2.679

Water Solubility, LogSw

-3.67

Polar Surface Area

81.068

Acid Dissociation Constant (pKa)

7.74

Base Dissociation Constant (pKb)

-5.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

E786-2046 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 E786-2046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E786-2046?
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What is the minimum amount of E786-2046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E786-2046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E786-2046
  • 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 E786-2046 available by request