D678-0688 Screening compound: N-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-3-cyano-4-methoxybenzamide

D678-0688 Screening compound: N-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-3-cyano-4-methoxybenzamide
D678-0688 Screening compound: N-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-3-cyano-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D678-0688
N-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-3-cyano-4-methoxybenzamide

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

D678-0688

Molecular Formula

C18H13ClN4O3 (C18 H13 ClN4 O3)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(C(NCc1noc(-c2cccc(Cl)c2)n1)=O)c1)c1C#N

InChI

InChI=1S/C18H13ClN4O3/c1-25-15-6-5-11(7-13(15)9-20)17(24)21-10-16-22-18(26-23-16)12-3-2-4-14(19)8-12/h2-8H,10H2,1H3,(H,21,24)

InChI Key

CBGOJGUQMUJJHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.78

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.161

Distribution Coefficient, logD

3.161

Water Solubility, LogSw

-3.67

Polar Surface Area

82.006

Acid Dissociation Constant (pKa)

11.75

Base Dissociation Constant (pKb)

-5.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

D678-0688 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 D678-0688 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D678-0688?
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What is the minimum amount of D678-0688 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D678-0688
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D678-0688
  • 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 D678-0688 available by request