J021-0680 Screening compound: N-(3,5-dimethylphenyl)-3-[3-({[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide

J021-0680 Screening compound: N-(3,5-dimethylphenyl)-3-[3-({[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide
J021-0680 Screening compound: N-(3,5-dimethylphenyl)-3-[3-({[5-(2-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 J021-0680
N-(3,5-dimethylphenyl)-3-[3-({[5-(2-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

J021-0680

Molecular Formula

C23H23N5O3S (C23 H23 N5 O3 S)

Compound Name

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

IUPAC name

N-(35-dimethylphenyl)-3-[3-({[5-(2-methylphenyl)-134-oxadiazol-2-yl]sulfanyl}methyl)-124-oxadiazol-5-yl]propanamide

SMILES

Cc1cc(NC(CCc2nc(CSc3nnc(-c4c(C)cccc4)o3)no2)=O)cc(C)c1

InChI

InChI=1S/C23H23N5O3S/c1-14-10-15(2)12-17(11-14)24-20(29)8-9-21-25-19(28-31-21)13-32-23-27-26-22(30-23)18-7-5-4-6-16(18)3/h4-7,10-12H,8-9,13H2,1-3H3,(H,24,29)

InChI Key

QSORZPXPEOJJRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27218442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.53

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

4.142

Distribution Coefficient, logD

4.142

Water Solubility, LogSw

-4.24

Polar Surface Area

85.547

Acid Dissociation Constant (pKa)

12.88

Base Dissociation Constant (pKb)

2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

J021-0680 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with J021-0680 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of J021-0680 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J021-0680
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J021-0680
  • 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 J021-0680 available by request