E786-1957 Screening compound: ethyl 4-[5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)thiophene-2-sulfonamido]benzoate

E786-1957 Screening compound: ethyl 4-[5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)thiophene-2-sulfonamido]benzoate
E786-1957 Screening compound: ethyl 4-[5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)thiophene-2-sulfonamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E786-1957
ethyl 4-[5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)thiophene-2-sulfonamido]benzoate

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

E786-1957

Molecular Formula

C21H17N3O6S2 (C21 H17 N3 O6 S2)

Compound Name

ethyl 4-[5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)thiophene-2-sulfonamido]benzoate

IUPAC name

ethyl 4-[5-({57-dioxo-5H6H7H-pyrrolo[34-b]pyridin-6-yl}methyl)thiophene-2-sulfonamido]benzoate

SMILES

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

InChI

InChI=1S/C21H17N3O6S2/c1-2-30-21(27)13-5-7-14(8-6-13)23-32(28,29)17-10-9-15(31-17)12-24-19(25)16-4-3-11-22-18(16)20(24)26/h3-11,23H,2,12H2,1H3

InChI Key

DFKAZXCKZMPTCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14919016

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.51

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.670

Distribution Coefficient, logD

2.557

Water Solubility, LogSw

-3.18

Polar Surface Area

101.822

Acid Dissociation Constant (pKa)

7.92

Base Dissociation Constant (pKb)

-5.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

E786-1957 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 E786-1957 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E786-1957?
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What is the minimum amount of E786-1957 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E786-1957
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E786-1957
  • 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 E786-1957 available by request