E786-1947 Screening compound: 6-{[5-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)thiophen-2-yl]methyl}-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione

E786-1947 Screening compound: 6-{[5-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)thiophen-2-yl]methyl}-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione
E786-1947 Screening compound: 6-{[5-(1,2,3,4-tetrahydroquinoline-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 E786-1947
6-{[5-(1,2,3,4-tetrahydroquinoline-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

E786-1947

Molecular Formula

C21H17N3O4S2 (C21 H17 N3 O4 S2)

Compound Name

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

IUPAC name

6-{[5-(1234-tetrahydroquinoline-1-sulfonyl)thiophen-2-yl]methyl}-5H6H7H-pyrrolo[34-b]pyridine-57-dione

SMILES

O=C(c1c2nccc1)N(Cc(s1)ccc1S(N(CCC1)c3c1cccc3)(=O)=O)C2=O

InChI

InChI=1S/C21H17N3O4S2/c25-20-16-7-3-11-22-19(16)21(26)23(20)13-15-9-10-18(29-15)30(27,28)24-12-4-6-14-5-1-2-8-17(14)24/h1-3,5,7-11H,4,6,12-13H2

InChI Key

JXKBAYBGACKNKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14919007

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.065

Distribution Coefficient, logD

2.065

Water Solubility, LogSw

-2.89

Polar Surface Area

71.571

Acid Dissociation Constant (pKa)

24.75

Base Dissociation Constant (pKb)

-5.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

E786-1947 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune 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 E786-1947 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E786-1947?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E786-1947
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E786-1947
  • 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 E786-1947 available by request