E786-2197 Screening compound: 2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluoro-N-(2-phenylpropyl)benzene-1-sulfonamide

E786-2197 Screening compound: 2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluoro-N-(2-phenylpropyl)benzene-1-sulfonamide
E786-2197 Screening compound: 2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluoro-N-(2-phenylpropyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E786-2197
2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluoro-N-(2-phenylpropyl)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

E786-2197

Molecular Formula

C23H20FN3O4S (C23 H20 FN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(CNS(c1c(CN(C(c2c3nccc2)=O)C3=O)ccc(F)c1)(=O)=O)c1ccccc1

InChI

InChI=1S/C23H20FN3O4S/c1-15(16-6-3-2-4-7-16)13-26-32(30,31)20-12-18(24)10-9-17(20)14-27-22(28)19-8-5-11-25-21(19)23(27)29/h2-12,15,26H,13-14H2,1H3/t15-/m0/s1

InChI Key

NOIHWFPITUGCDF-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14919158

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.49

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

3.059

Distribution Coefficient, logD

3.059

Water Solubility, LogSw

-3.56

Polar Surface Area

81.159

Acid Dissociation Constant (pKa)

11.35

Base Dissociation Constant (pKb)

-5.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

E786-2197 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 E786-2197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E786-2197?
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What is the minimum amount of E786-2197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E786-2197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E786-2197
  • 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 E786-2197 available by request