D678-0913 Screening compound: N-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-3,4-diethoxybenzamide

D678-0913 Screening compound: N-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-3,4-diethoxybenzamide
D678-0913 Screening compound: N-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-3,4-diethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D678-0913
N-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-3,4-diethoxybenzamide

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

D678-0913

Molecular Formula

C20H20ClN3O4 (C20 H20 ClN3 O4)

Compound Name

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

IUPAC name

N-{[5-(3-chlorophenyl)-124-oxadiazol-3-yl]methyl}-34-diethoxybenzamide

SMILES

CCOc(ccc(C(NCc1noc(-c2cccc(Cl)c2)n1)=O)c1)c1OCC

InChI

InChI=1S/C20H20ClN3O4/c1-3-26-16-9-8-13(11-17(16)27-4-2)19(25)22-12-18-23-20(28-24-18)14-6-5-7-15(21)10-14/h5-11H,3-4,12H2,1-2H3,(H,22,25)

InChI Key

QUUUJUIBNYEQEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.85

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.670

Distribution Coefficient, logD

3.670

Water Solubility, LogSw

-4.09

Polar Surface Area

71.740

Acid Dissociation Constant (pKa)

13.48

Base Dissociation Constant (pKb)

-5.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D678-0913 in Drug Discovery

Included in Screening Libraries

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

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 D678-0913 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D678-0913?
Check Price and Availability of D678-0913, 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 D678-0913 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D678-0913
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D678-0913
  • 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 D678-0913 available by request