E823-0495 Screening compound: 3-(3-{[4-(2-chlorobenzoyl)piperazino]methyl}-1,2,4-oxadiazol-5-yl)-1-piperidino-1-propanone

E823-0495 Screening compound: 3-(3-{[4-(2-chlorobenzoyl)piperazino]methyl}-1,2,4-oxadiazol-5-yl)-1-piperidino-1-propanone
E823-0495 Screening compound: 3-(3-{[4-(2-chlorobenzoyl)piperazino]methyl}-1,2,4-oxadiazol-5-yl)-1-piperidino-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound E823-0495
3-(3-{[4-(2-chlorobenzoyl)piperazino]methyl}-1,2,4-oxadiazol-5-yl)-1-piperidino-1-propanone

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

E823-0495

Molecular Formula

C22H28ClN5O3 (C22 H28 ClN5 O3)

Compound Name

3-(3-{[4-(2-chlorobenzoyl)piperazino]methyl}-1,2,4-oxadiazol-5-yl)-1-piperidino-1-propanone

IUPAC name

3-(3-{[4-(2-chlorobenzoyl)piperazin-1-yl]methyl}-124-oxadiazol-5-yl)-1-(piperidin-1-yl)propan-1-one

SMILES

O=C(CCc1nc(CN(CC2)CCN2C(c(cccc2)c2Cl)=O)no1)N1CCCCC1

InChI

InChI=1S/C22H28ClN5O3/c23-18-7-3-2-6-17(18)22(30)28-14-12-26(13-15-28)16-19-24-20(31-25-19)8-9-21(29)27-10-4-1-5-11-27/h2-3,6-7H,1,4-5,8-16H2

InChI Key

FGIARCMEVIRTCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14920632

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

445.95

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.686

Distribution Coefficient, logD

1.686

Water Solubility, LogSw

-3.01

Polar Surface Area

69.153

Acid Dissociation Constant (pKa)

23.79

Base Dissociation Constant (pKb)

4.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.54

E823-0495 in Drug Discovery

Included in Screening Libraries

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with E823-0495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E823-0495?
Check Price and Availability of E823-0495, 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 E823-0495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E823-0495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E823-0495
  • 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 E823-0495 available by request