E786-1923 Screening compound: 6-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione

E786-1923 Screening compound: 6-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione
E786-1923 Screening compound: 6-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E786-1923
6-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione

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

E786-1923

Molecular Formula

C18H19N3O4S2 (C18 H19 N3 O4 S2)

Compound Name

6-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione

IUPAC name

6-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-5H6H7H-pyrrolo[34-b]pyridine-57-dione

SMILES

O=C(c1c2nccc1)N(Cc(s1)ccc1S(N1CCCCCC1)(=O)=O)C2=O

InChI

InChI=1S/C18H19N3O4S2/c22-17-14-6-5-9-19-16(14)18(23)21(17)12-13-7-8-15(26-13)27(24,25)20-10-3-1-2-4-11-20/h5-9H,1-4,10-12H2

InChI Key

HYCXCHXFQOKCFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14918989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.729

Distribution Coefficient, logD

1.729

Water Solubility, LogSw

-2.72

Polar Surface Area

72.461

Acid Dissociation Constant (pKa)

27.74

Base Dissociation Constant (pKb)

-3.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

E786-1923 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • 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 E786-1923 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E786-1923?
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What is the minimum amount of E786-1923 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E786-1923
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E786-1923
  • 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 E786-1923 available by request