D678-0148 Screening compound: N-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-2-ethoxybenzamide

D678-0148 Screening compound: N-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-2-ethoxybenzamide
D678-0148 Screening compound: N-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-2-ethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D678-0148
N-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-2-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

D678-0148

Molecular Formula

C18H16ClN3O3 (C18 H16 ClN3 O3)

Compound Name

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

IUPAC name

N-{[5-(3-chlorophenyl)-124-oxadiazol-3-yl]methyl}-2-ethoxybenzamide

SMILES

CCOc(cccc1)c1C(NCc1noc(-c2cccc(Cl)c2)n1)=O

InChI

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

InChI Key

WOILDGWGRCCEOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595928

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

4.131

Distribution Coefficient, logD

4.131

Water Solubility, LogSw

-4.45

Polar Surface Area

64.530

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

-5.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D678-0148 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D678-0148 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D678-0148?
Check Price and Availability of D678-0148, 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 D678-0148 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D678-0148
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D678-0148
  • 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 D678-0148 available by request