J075-2159 Screening compound: 3-cyano-N-{[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-4-methoxybenzamide

J075-2159 Screening compound: 3-cyano-N-{[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-4-methoxybenzamide
J075-2159 Screening compound: 3-cyano-N-{[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J075-2159
3-cyano-N-{[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-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

J075-2159

Molecular Formula

C18H13FN4O3 (C18 H13 FN4 O3)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(C(NCc1noc(-c(cc2)ccc2F)n1)=O)c1)c1C#N

InChI

InChI=1S/C18H13FN4O3/c1-25-15-7-4-12(8-13(15)9-20)17(24)21-10-16-22-18(26-23-16)11-2-5-14(19)6-3-11/h2-8H,10H2,1H3,(H,21,24)

InChI Key

SXTPEEXOHPLZJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27223425

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.32

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

2.607

Distribution Coefficient, logD

2.607

Water Solubility, LogSw

-3.13

Polar Surface Area

82.006

Acid Dissociation Constant (pKa)

11.75

Base Dissociation Constant (pKb)

-6.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

J075-2159 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 J075-2159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J075-2159?
Check Price and Availability of J075-2159, 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 J075-2159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J075-2159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J075-2159
  • 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 J075-2159 available by request