J021-2666 Screening compound: N-(2,6-dimethylphenyl)-3-[3-({[5-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide

J021-2666 Screening compound: N-(2,6-dimethylphenyl)-3-[3-({[5-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide
J021-2666 Screening compound: N-(2,6-dimethylphenyl)-3-[3-({[5-(2-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 J021-2666
N-(2,6-dimethylphenyl)-3-[3-({[5-(2-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

J021-2666

Molecular Formula

C23H24N6O2S (C23 H24 N6 O2 S)

Compound Name

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

IUPAC name

N-(26-dimethylphenyl)-3-[3-({[5-(2-methylphenyl)-4H-124-triazol-3-yl]sulfanyl}methyl)-124-oxadiazol-5-yl]propanamide

SMILES

Cc(cccc1)c1-c([nH]1)nnc1SCc1noc(CCC(Nc2c(C)cccc2C)=O)n1

InChI

InChI=1S/C23H24N6O2S/c1-14-7-4-5-10-17(14)22-26-23(28-27-22)32-13-18-24-20(31-29-18)12-11-19(30)25-21-15(2)8-6-9-16(21)3/h4-10H,11-13H2,1-3H3,(H,25,30)(H,26,27,28)

InChI Key

AQCFTJFZFOZMHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27218696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.55

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

3.335

Distribution Coefficient, logD

1.794

Water Solubility, LogSw

-3.67

Polar Surface Area

86.561

Acid Dissociation Constant (pKa)

4.85

Base Dissociation Constant (pKb)

4.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with J021-2666 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of J021-2666 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J021-2666
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J021-2666
  • 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 J021-2666 available by request