J021-0741 Screening compound: N-(4-methylphenyl)-3-[3-({[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide

J021-0741 Screening compound: N-(4-methylphenyl)-3-[3-({[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide
J021-0741 Screening compound: N-(4-methylphenyl)-3-[3-({[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J021-0741
N-(4-methylphenyl)-3-[3-({[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide

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

J021-0741

Molecular Formula

C22H21N5O3S (C22 H21 N5 O3 S)

Compound Name

N-(4-methylphenyl)-3-[3-({[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide

IUPAC name

N-(4-methylphenyl)-3-[3-({[5-(4-methylphenyl)-134-oxadiazol-2-yl]sulfanyl}methyl)-124-oxadiazol-5-yl]propanamide

SMILES

Cc(cc1)ccc1-c(o1)nnc1SCc1noc(CCC(Nc2ccc(C)cc2)=O)n1

InChI

InChI=1S/C22H21N5O3S/c1-14-3-7-16(8-4-14)21-25-26-22(29-21)31-13-18-24-20(30-27-18)12-11-19(28)23-17-9-5-15(2)6-10-17/h3-10H,11-13H2,1-2H3,(H,23,28)

InChI Key

KVZSTWZWAIHHMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD24847661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.158

Distribution Coefficient, logD

4.158

Water Solubility, LogSw

-4.09

Polar Surface Area

85.547

Acid Dissociation Constant (pKa)

12.40

Base Dissociation Constant (pKb)

1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

J021-0741 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with J021-0741 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J021-0741?
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What is the minimum amount of J021-0741 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J021-0741
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J021-0741
  • 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 J021-0741 available by request