E786-2136 Screening compound: 6-({4-fluoro-2-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}methyl)-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione

E786-2136 Screening compound: 6-({4-fluoro-2-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}methyl)-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione
E786-2136 Screening compound: 6-({4-fluoro-2-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}methyl)-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E786-2136
6-({4-fluoro-2-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}methyl)-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione

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

E786-2136

Molecular Formula

C20H20FN3O4S (C20 H20 FN3 O4 S)

Compound Name

6-({4-fluoro-2-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}methyl)-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione

IUPAC name

6-({4-fluoro-2-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}methyl)-5H6H7H-pyrrolo[34-b]pyridine-57-dione

SMILES

CC(CC1)CCN1S(c1c(CN(C(c2c3nccc2)=O)C3=O)ccc(F)c1)(=O)=O

InChI

InChI=1S/C20H20FN3O4S/c1-13-6-9-23(10-7-13)29(27,28)17-11-15(21)5-4-14(17)12-24-19(25)16-3-2-8-22-18(16)20(24)26/h2-5,8,11,13H,6-7,9-10,12H2,1H3

InChI Key

WQDRSTPMGQRADD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14919130

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.885

Distribution Coefficient, logD

1.885

Water Solubility, LogSw

-2.77

Polar Surface Area

71.111

Acid Dissociation Constant (pKa)

26.32

Base Dissociation Constant (pKb)

-4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

E786-2136 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS targets activity set (6557 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases
Structure:
  • Pool

References: we are preparing a list of scientific research reports with E786-2136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E786-2136?
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What is the minimum amount of E786-2136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E786-2136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E786-2136
  • 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 E786-2136 available by request