J021-0813 Screening compound: N-(2-fluorophenyl)-3-[3-({[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide

J021-0813 Screening compound: N-(2-fluorophenyl)-3-[3-({[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide
J021-0813 Screening compound: N-(2-fluorophenyl)-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 J021-0813
N-(2-fluorophenyl)-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

J021-0813

Molecular Formula

C21H18FN5O3S (C21 H18 FN5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-c(o1)nnc1SCc1noc(CCC(Nc(cccc2)c2F)=O)n1

InChI

InChI=1S/C21H18FN5O3S/c1-13-6-8-14(9-7-13)20-25-26-21(29-20)31-12-17-24-19(30-27-17)11-10-18(28)23-16-5-3-2-4-15(16)22/h2-9H,10-12H2,1H3,(H,23,28)

InChI Key

WNSATSCMJUPOTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27218455

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.47

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

3.515

Distribution Coefficient, logD

3.515

Water Solubility, LogSw

-3.75

Polar Surface Area

84.849

Acid Dissociation Constant (pKa)

10.63

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

J021-0813 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 J021-0813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J021-0813?
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What is the minimum amount of J021-0813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J021-0813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J021-0813
  • 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 J021-0813 available by request