E823-0142 Screening compound: 1-(azepan-1-yl)-3-(3-{[4-(4-tert-butylbenzenesulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)propan-1-one

E823-0142 Screening compound: 1-(azepan-1-yl)-3-(3-{[4-(4-tert-butylbenzenesulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)propan-1-one
E823-0142 Screening compound: 1-(azepan-1-yl)-3-(3-{[4-(4-tert-butylbenzenesulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E823-0142
1-(azepan-1-yl)-3-(3-{[4-(4-tert-butylbenzenesulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)propan-1-one

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

E823-0142

Molecular Formula

C26H39N5O4S (C26 H39 N5 O4 S)

Compound Name

1-(azepan-1-yl)-3-(3-{[4-(4-tert-butylbenzenesulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)propan-1-one

IUPAC name

1-(azepan-1-yl)-3-(3-{[4-(4-tert-butylbenzenesulfonyl)piperazin-1-yl]methyl}-124-oxadiazol-5-yl)propan-1-one

SMILES

CC(C)(C)c(cc1)ccc1S(N1CCN(Cc2noc(CCC(N3CCCCCC3)=O)n2)CC1)(=O)=O

InChI

InChI=1S/C26H39N5O4S/c1-26(2,3)21-8-10-22(11-9-21)36(33,34)31-18-16-29(17-19-31)20-23-27-24(35-28-23)12-13-25(32)30-14-6-4-5-7-15-30/h8-11H,4-7,12-20H2,1-3H3

InChI Key

WPBCDOVYKYZWIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14920510

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

517.69

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.834

Distribution Coefficient, logD

3.834

Water Solubility, LogSw

-3.81

Polar Surface Area

84.547

Acid Dissociation Constant (pKa)

23.79

Base Dissociation Constant (pKb)

4.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.40

E823-0142 in Drug Discovery

Included in Screening Libraries

Purinergic Library (3321 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E823-0142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E823-0142?
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What is the minimum amount of E823-0142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E823-0142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E823-0142
  • 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 E823-0142 available by request