D678-0400 Screening compound: N-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-2-(2-fluorophenyl)acetamide

D678-0400 Screening compound: N-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-2-(2-fluorophenyl)acetamide
D678-0400 Screening compound: N-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-2-(2-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D678-0400
N-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-2-(2-fluorophenyl)acetamide

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

D678-0400

Molecular Formula

C17H13ClFN3O2 (C17 H13 ClFN3 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(Cc(cccc1)c1F)NCc1noc(-c2cccc(Cl)c2)n1

InChI

InChI=1S/C17H13ClFN3O2/c18-13-6-3-5-12(8-13)17-21-15(22-24-17)10-20-16(23)9-11-4-1-2-7-14(11)19/h1-8H,9-10H2,(H,20,23)

InChI Key

NOVPLVUPNPDKBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595993

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.76

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

3.819

Distribution Coefficient, logD

3.819

Water Solubility, LogSw

-4.32

Polar Surface Area

57.106

Acid Dissociation Constant (pKa)

13.45

Base Dissociation Constant (pKb)

-4.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

D678-0400 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 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 D678-0400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D678-0400?
Check Price and Availability of D678-0400, 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 D678-0400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D678-0400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D678-0400
  • 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 D678-0400 available by request