E823-0050 Screening compound: 3-(3-{[4-(4-chlorobenzenesulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-1-(4-methylpiperidin-1-yl)propan-1-one

E823-0050 Screening compound: 3-(3-{[4-(4-chlorobenzenesulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
E823-0050 Screening compound: 3-(3-{[4-(4-chlorobenzenesulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-1-(4-methylpiperidin-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E823-0050
3-(3-{[4-(4-chlorobenzenesulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-1-(4-methylpiperidin-1-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

E823-0050

Molecular Formula

C22H30ClN5O4S (C22 H30 ClN5 O4 S)

Compound Name

3-(3-{[4-(4-chlorobenzenesulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-1-(4-methylpiperidin-1-yl)propan-1-one

IUPAC name

3-(3-{[4-(4-chlorobenzenesulfonyl)piperazin-1-yl]methyl}-124-oxadiazol-5-yl)-1-(4-methylpiperidin-1-yl)propan-1-one

SMILES

CC(CC1)CCN1C(CCc1nc(CN(CC2)CCN2S(c(cc2)ccc2Cl)(=O)=O)no1)=O

InChI

InChI=1S/C22H30ClN5O4S/c1-17-8-10-27(11-9-17)22(29)7-6-21-24-20(25-32-21)16-26-12-14-28(15-13-26)33(30,31)19-4-2-18(23)3-5-19/h2-5,17H,6-16H2,1H3

InChI Key

GNLGERMSKFYRRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14920462

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

496.03

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.469

Distribution Coefficient, logD

2.468

Water Solubility, LogSw

-3.01

Polar Surface Area

84.216

Acid Dissociation Constant (pKa)

23.79

Base Dissociation Constant (pKb)

4.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

59.10

E823-0050 in Drug Discovery

Included in Screening Libraries

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E823-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E823-0050?
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What is the minimum amount of E823-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E823-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E823-0050
  • 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 E823-0050 available by request