E786-1954 Screening compound: N-cyclohexyl-5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-N-methylthiophene-2-sulfonamide

E786-1954 Screening compound: N-cyclohexyl-5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-N-methylthiophene-2-sulfonamide
E786-1954 Screening compound: N-cyclohexyl-5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-N-methylthiophene-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E786-1954
N-cyclohexyl-5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-N-methylthiophene-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

E786-1954

Molecular Formula

C19H21N3O4S2 (C19 H21 N3 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CN(C1CCCCC1)S(c1ccc(CN(C(c2c3nccc2)=O)C3=O)s1)(=O)=O

InChI

InChI=1S/C19H21N3O4S2/c1-21(13-6-3-2-4-7-13)28(25,26)16-10-9-14(27-16)12-22-18(23)15-8-5-11-20-17(15)19(22)24/h5,8-11,13H,2-4,6-7,12H2,1H3

InChI Key

WGGMCYPXXHIYOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14919013

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.299

Distribution Coefficient, logD

2.299

Water Solubility, LogSw

-2.81

Polar Surface Area

73.073

Acid Dissociation Constant (pKa)

27.16

Base Dissociation Constant (pKb)

-3.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

E786-1954 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

GPCR Targeted Library (31838 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
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Nervous system
Targets:
  • Proteases
  • GPCR
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E786-1954 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E786-1954?
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What is the minimum amount of E786-1954 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E786-1954
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E786-1954
  • 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 E786-1954 available by request