E786-2063 Screening compound: 5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-[2-(3-methyl-2-thienyl)ethyl]-2-thiophenesulfonamide

E786-2063 Screening compound: 5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-[2-(3-methyl-2-thienyl)ethyl]-2-thiophenesulfonamide
E786-2063 Screening compound: 5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-[2-(3-methyl-2-thienyl)ethyl]-2-thiophenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E786-2063
5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-[2-(3-methyl-2-thienyl)ethyl]-2-thiophenesulfonamide

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

E786-2063

Molecular Formula

C19H17N3O4S3 (C19 H17 N3 O4 S3)

Compound Name

5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-[2-(3-methyl-2-thienyl)ethyl]-2-thiophenesulfonamide

IUPAC name

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

SMILES

Cc1c(CCNS(c2ccc(CN(C(c3c4nccc3)=O)C4=O)s2)(=O)=O)scc1

InChI

InChI=1S/C19H17N3O4S3/c1-12-7-10-27-15(12)6-9-21-29(25,26)16-5-4-13(28-16)11-22-18(23)14-3-2-8-20-17(14)19(22)24/h2-5,7-8,10,21H,6,9,11H2,1H3

InChI Key

TYPPYFJTIFDIRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14919084

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.374

Distribution Coefficient, logD

2.374

Water Solubility, LogSw

-2.93

Polar Surface Area

83.037

Acid Dissociation Constant (pKa)

10.79

Base Dissociation Constant (pKb)

-5.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.05

E786-2063 in Drug Discovery

Included in Screening Libraries

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

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 E786-2063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E786-2063?
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What is the minimum amount of E786-2063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E786-2063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E786-2063
  • 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 E786-2063 available by request