D678-0022 Screening compound: N-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-4-ethoxybenzamide

D678-0022 Screening compound: N-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-4-ethoxybenzamide
D678-0022 Screening compound: N-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-4-ethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D678-0022
N-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-4-ethoxybenzamide

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

D678-0022

Molecular Formula

C18H16ClN3O3 (C18 H16 ClN3 O3)

Compound Name

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

IUPAC name

N-{[5-(3-chlorophenyl)-124-oxadiazol-3-yl]methyl}-4-ethoxybenzamide

SMILES

CCOc(cc1)ccc1C(NCc1noc(-c2cccc(Cl)c2)n1)=O

InChI

InChI=1S/C18H16ClN3O3/c1-2-24-15-8-6-12(7-9-15)17(23)20-11-16-21-18(25-22-16)13-4-3-5-14(19)10-13/h3-10H,2,11H2,1H3,(H,20,23)

InChI Key

SKZUQYMVLDZBFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595894

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.8

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.923

Distribution Coefficient, logD

3.923

Water Solubility, LogSw

-4.34

Polar Surface Area

64.443

Acid Dissociation Constant (pKa)

12.87

Base Dissociation Constant (pKb)

-5.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D678-0022 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D678-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D678-0022?
Check Price and Availability of D678-0022, 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 D678-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D678-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D678-0022
  • 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 D678-0022 available by request