D678-0085 Screening compound: N-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-2-(trifluoromethyl)benzamide

D678-0085 Screening compound: N-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-2-(trifluoromethyl)benzamide
D678-0085 Screening compound: N-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-2-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D678-0085
N-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-2-(trifluoromethyl)benzamide

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

D678-0085

Molecular Formula

C17H11ClF3N3O2 (C17 H11 ClF3 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1c(C(F)(F)F)cccc1)NCc1noc(-c2cccc(Cl)c2)n1

InChI

InChI=1S/C17H11ClF3N3O2/c18-11-5-3-4-10(8-11)16-23-14(24-26-16)9-22-15(25)12-6-1-2-7-13(12)17(19,20)21/h1-8H,9H2,(H,22,25)

InChI Key

YXUNINUAZPWNHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.74

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.225

Distribution Coefficient, logD

4.221

Water Solubility, LogSw

-4.58

Polar Surface Area

57.320

Acid Dissociation Constant (pKa)

9.44

Base Dissociation Constant (pKb)

-5.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

D678-0085 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 D678-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D678-0085?
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What is the minimum amount of D678-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D678-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D678-0085
  • 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 D678-0085 available by request