D676-5001 Screening compound: 1-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-4-(4-ethoxybenzoyl)piperazine

D676-5001 Screening compound: 1-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-4-(4-ethoxybenzoyl)piperazine
D676-5001 Screening compound: 1-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-4-(4-ethoxybenzoyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D676-5001
1-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-4-(4-ethoxybenzoyl)piperazine

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

D676-5001

Molecular Formula

C22H23ClN4O3 (C22 H23 ClN4 O3)

Compound Name

1-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-4-(4-ethoxybenzoyl)piperazine

IUPAC name

1-{[5-(3-chlorophenyl)-124-oxadiazol-3-yl]methyl}-4-(4-ethoxybenzoyl)piperazine

SMILES

CCOc(cc1)ccc1C(N1CCN(Cc2noc(-c3cccc(Cl)c3)n2)CC1)=O

InChI

InChI=1S/C22H23ClN4O3/c1-2-29-19-8-6-16(7-9-19)22(28)27-12-10-26(11-13-27)15-20-24-21(30-25-20)17-4-3-5-18(23)14-17/h3-9,14H,2,10-13,15H2,1H3

InChI Key

VVKMLZRATSDHMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595756

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.436

Distribution Coefficient, logD

3.436

Water Solubility, LogSw

-3.73

Polar Surface Area

60.219

Acid Dissociation Constant (pKa)

28.54

Base Dissociation Constant (pKb)

2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

D676-5001 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D676-5001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D676-5001?
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What is the minimum amount of D676-5001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D676-5001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D676-5001
  • 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 D676-5001 available by request