D678-0805 Screening compound: N-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

D678-0805 Screening compound: N-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
D678-0805 Screening compound: N-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D678-0805
N-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

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

D678-0805

Molecular Formula

C20H16ClN5O3 (C20 H16 ClN5 O3)

Compound Name

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

IUPAC name

N-{[5-(3-chlorophenyl)-124-oxadiazol-3-yl]methyl}-3-(3-phenyl-124-oxadiazol-5-yl)propanamide

SMILES

O=C(CCc1nc(-c2ccccc2)no1)NCc1noc(-c2cccc(Cl)c2)n1

InChI

InChI=1S/C20H16ClN5O3/c21-15-8-4-7-14(11-15)20-23-16(25-29-20)12-22-17(27)9-10-18-24-19(26-28-18)13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H,22,27)

InChI Key

WWCDHEZBICLERT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596049

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.83

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.166

Distribution Coefficient, logD

4.166

Water Solubility, LogSw

-4.50

Polar Surface Area

88.449

Acid Dissociation Constant (pKa)

13.87

Base Dissociation Constant (pKb)

-3.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

D678-0805 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D678-0805 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D678-0805?
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What is the minimum amount of D678-0805 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D678-0805
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D678-0805
  • 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 D678-0805 available by request