E823-0008 Screening compound: N-benzyl-N-ethyl-3-(3-{[4-(4-fluoro-3-methylbenzenesulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)propanamide

E823-0008 Screening compound: N-benzyl-N-ethyl-3-(3-{[4-(4-fluoro-3-methylbenzenesulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
E823-0008 Screening compound: N-benzyl-N-ethyl-3-(3-{[4-(4-fluoro-3-methylbenzenesulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E823-0008
N-benzyl-N-ethyl-3-(3-{[4-(4-fluoro-3-methylbenzenesulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)propanamide

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

E823-0008

Molecular Formula

C26H32FN5O4S (C26 H32 FN5 O4 S)

Compound Name

N-benzyl-N-ethyl-3-(3-{[4-(4-fluoro-3-methylbenzenesulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)propanamide

IUPAC name

N-benzyl-N-ethyl-3-(3-{[4-(4-fluoro-3-methylbenzenesulfonyl)piperazin-1-yl]methyl}-124-oxadiazol-5-yl)propanamide

SMILES

CCN(Cc1ccccc1)C(CCc1nc(CN(CC2)CCN2S(c(cc2)cc(C)c2F)(=O)=O)no1)=O

InChI

InChI=1S/C26H32FN5O4S/c1-3-31(18-21-7-5-4-6-8-21)26(33)12-11-25-28-24(29-36-25)19-30-13-15-32(16-14-30)37(34,35)22-9-10-23(27)20(2)17-22/h4-10,17H,3,11-16,18-19H2,1-2H3

InChI Key

SSWSYBRQZPNGAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14920431

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

529.64

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.010

Distribution Coefficient, logD

3.010

Water Solubility, LogSw

-3.32

Polar Surface Area

83.503

Acid Dissociation Constant (pKa)

23.21

Base Dissociation Constant (pKb)

4.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

E823-0008 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Purinergic Library (3321 compounds)

Targeted Diversity Library (40567 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 E823-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E823-0008?
Check Price and Availability of E823-0008, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E823-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E823-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E823-0008
  • 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 E823-0008 available by request