E786-2029 Screening compound: 5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-N-(4-methylphenyl)thiophene-2-sulfonamide

E786-2029 Screening compound: 5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-N-(4-methylphenyl)thiophene-2-sulfonamide
E786-2029 Screening compound: 5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-N-(4-methylphenyl)thiophene-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E786-2029
5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-N-(4-methylphenyl)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

E786-2029

Molecular Formula

C19H15N3O4S2 (C19 H15 N3 O4 S2)

Compound Name

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

IUPAC name

5-({57-dioxo-5H6H7H-pyrrolo[34-b]pyridin-6-yl}methyl)-N-(4-methylphenyl)thiophene-2-sulfonamide

SMILES

Cc(cc1)ccc1NS(c1ccc(CN(C(c2c3nccc2)=O)C3=O)s1)(=O)=O

InChI

InChI=1S/C19H15N3O4S2/c1-12-4-6-13(7-5-12)21-28(25,26)16-9-8-14(27-16)11-22-18(23)15-3-2-10-20-17(15)19(22)24/h2-10,21H,11H2,1H3

InChI Key

ZBQKQTAXQZMDFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14919065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.48

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

2.492

Distribution Coefficient, logD

2.489

Water Solubility, LogSw

-3.06

Polar Surface Area

81.068

Acid Dissociation Constant (pKa)

9.49

Base Dissociation Constant (pKb)

-5.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

E786-2029 in Drug Discovery

Included in Screening Libraries

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 E786-2029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E786-2029?
Check Price and Availability of E786-2029, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E786-2029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E786-2029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E786-2029
  • 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 E786-2029 available by request