E786-2124 Screening compound: 2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluoro-N-(3-fluorophenyl)benzene-1-sulfonamide

E786-2124 Screening compound: 2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluoro-N-(3-fluorophenyl)benzene-1-sulfonamide
E786-2124 Screening compound: 2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluoro-N-(3-fluorophenyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E786-2124
2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluoro-N-(3-fluorophenyl)benzene-1-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

E786-2124

Molecular Formula

C20H13F2N3O4S (C20 H13 F2 N3 O4 S)

Compound Name

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

IUPAC name

2-({57-dioxo-5H6H7H-pyrrolo[34-b]pyridin-6-yl}methyl)-5-fluoro-N-(3-fluorophenyl)benzene-1-sulfonamide

SMILES

O=C(c1c2nccc1)N(Cc(ccc(F)c1)c1S(Nc1cc(F)ccc1)(=O)=O)C2=O

InChI

InChI=1S/C20H13F2N3O4S/c21-13-3-1-4-15(9-13)24-30(28,29)17-10-14(22)7-6-12(17)11-25-19(26)16-5-2-8-23-18(16)20(25)27/h1-10,24H,11H2

InChI Key

VKNIPXWQJIWMJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14919121

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.4

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

2.216

Distribution Coefficient, logD

1.016

Water Solubility, LogSw

-3.20

Polar Surface Area

80.050

Acid Dissociation Constant (pKa)

6.23

Base Dissociation Constant (pKb)

-6.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

E786-2124 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

NOTUM (Wnt signaling) Library (3881 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 E786-2124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E786-2124?
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What is the minimum amount of E786-2124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E786-2124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E786-2124
  • 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 E786-2124 available by request