E786-2048 Screening compound: 5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide

E786-2048 Screening compound: 5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide
E786-2048 Screening compound: 5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E786-2048
5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)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

E786-2048

Molecular Formula

C22H19N3O4S2 (C22 H19 N3 O4 S2)

Compound Name

5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide

IUPAC name

5-({57-dioxo-5H6H7H-pyrrolo[34-b]pyridin-6-yl}methyl)-N-(5678-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide

SMILES

O=C(c1c2nccc1)N(Cc(s1)ccc1S(Nc1c(CCCC3)c3ccc1)(=O)=O)C2=O

InChI

InChI=1S/C22H19N3O4S2/c26-21-17-8-4-12-23-20(17)22(27)25(21)13-15-10-11-19(30-15)31(28,29)24-18-9-3-6-14-5-1-2-7-16(14)18/h3-4,6,8-12,24H,1-2,5,7,13H2

InChI Key

DCMZUNHHILTNSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14919078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.54

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

3.174

Distribution Coefficient, logD

3.173

Water Solubility, LogSw

-3.64

Polar Surface Area

80.291

Acid Dissociation Constant (pKa)

10.02

Base Dissociation Constant (pKb)

-5.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

E786-2048 in Drug Discovery

Included in Screening Libraries

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:
  • 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 E786-2048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E786-2048?
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What is the minimum amount of E786-2048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E786-2048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E786-2048
  • 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 E786-2048 available by request