J021-1585 Screening compound: N-(2,6-dimethylphenyl)-3-(3-{[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide

J021-1585 Screening compound: N-(2,6-dimethylphenyl)-3-(3-{[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
J021-1585 Screening compound: N-(2,6-dimethylphenyl)-3-(3-{[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J021-1585
N-(2,6-dimethylphenyl)-3-(3-{[(5-phenyl-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

J021-1585

Molecular Formula

C22H21N5O3S (C22 H21 N5 O3 S)

Compound Name

N-(2,6-dimethylphenyl)-3-(3-{[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide

IUPAC name

N-(26-dimethylphenyl)-3-(3-{[(5-phenyl-134-oxadiazol-2-yl)sulfanyl]methyl}-124-oxadiazol-5-yl)propanamide

SMILES

Cc1cccc(C)c1NC(CCc1nc(CSc2nnc(-c3ccccc3)o2)no1)=O

InChI

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

InChI Key

GQEJXGXHNCOPTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27218515

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

3.391

Distribution Coefficient, logD

3.391

Water Solubility, LogSw

-3.61

Polar Surface Area

84.151

Acid Dissociation Constant (pKa)

12.04

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

J021-1585 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 J021-1585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J021-1585?
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What is the minimum amount of J021-1585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J021-1585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J021-1585
  • 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 J021-1585 available by request