J021-2506 Screening compound: N-(5-fluoro-2-methylphenyl)-3-[3-({[5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide

J021-2506 Screening compound: N-(5-fluoro-2-methylphenyl)-3-[3-({[5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide
J021-2506 Screening compound: N-(5-fluoro-2-methylphenyl)-3-[3-({[5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J021-2506
N-(5-fluoro-2-methylphenyl)-3-[3-({[5-(3-methylphenyl)-4H-1,2,4-triazol-3-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

J021-2506

Molecular Formula

C22H21FN6O2S (C22 H21 FN6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(-c([nH]2)nnc2SCc2noc(CCC(Nc3c(C)ccc(F)c3)=O)n2)c1

InChI

InChI=1S/C22H21FN6O2S/c1-13-4-3-5-15(10-13)21-26-22(28-27-21)32-12-18-25-20(31-29-18)9-8-19(30)24-17-11-16(23)7-6-14(17)2/h3-7,10-11H,8-9,12H2,1-2H3,(H,24,30)(H,26,27,28)

InChI Key

XSVGIYDKCPESOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27218663

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.427

Distribution Coefficient, logD

2.366

Water Solubility, LogSw

-3.72

Polar Surface Area

87.259

Acid Dissociation Constant (pKa)

4.85

Base Dissociation Constant (pKb)

3.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

J021-2506 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with J021-2506 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of J021-2506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J021-2506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J021-2506
  • 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 J021-2506 available by request