J075-2158 Screening compound: 3-cyano-4-methoxy-N-{[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}benzamide

J075-2158 Screening compound: 3-cyano-4-methoxy-N-{[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}benzamide
J075-2158 Screening compound: 3-cyano-4-methoxy-N-{[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J075-2158
3-cyano-4-methoxy-N-{[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}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

J075-2158

Molecular Formula

C19H16N4O3 (C19 H16 N4 O3)

Compound Name

3-cyano-4-methoxy-N-{[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}benzamide

IUPAC name

3-cyano-4-methoxy-N-{[5-(4-methylphenyl)-124-oxadiazol-3-yl]methyl}benzamide

SMILES

Cc(cc1)ccc1-c1nc(CNC(c(cc2)cc(C#N)c2OC)=O)no1

InChI

InChI=1S/C19H16N4O3/c1-12-3-5-13(6-4-12)19-22-17(23-26-19)11-21-18(24)14-7-8-16(25-2)15(9-14)10-20/h3-9H,11H2,1-2H3,(H,21,24)

InChI Key

UVJXMTSIFOVULE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27223424

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.36

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

3.002

Distribution Coefficient, logD

3.002

Water Solubility, LogSw

-3.38

Polar Surface Area

82.006

Acid Dissociation Constant (pKa)

11.75

Base Dissociation Constant (pKb)

-4.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

J075-2158 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 J075-2158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J075-2158?
Check Price and Availability of J075-2158, 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 J075-2158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J075-2158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J075-2158
  • 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 J075-2158 available by request