J021-3057 Screening compound: N-(2,4-dimethylphenyl)-3-[3-({[5-(3-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide

J021-3057 Screening compound: N-(2,4-dimethylphenyl)-3-[3-({[5-(3-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide
J021-3057 Screening compound: N-(2,4-dimethylphenyl)-3-[3-({[5-(3-fluorophenyl)-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 J021-3057
N-(2,4-dimethylphenyl)-3-[3-({[5-(3-fluorophenyl)-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

J021-3057

Molecular Formula

C22H21FN6O2S (C22 H21 FN6 O2 S)

Compound Name

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

IUPAC name

N-(24-dimethylphenyl)-3-[3-({[5-(3-fluorophenyl)-4H-124-triazol-3-yl]sulfanyl}methyl)-124-oxadiazol-5-yl]propanamide

SMILES

Cc(cc1)cc(C)c1NC(CCc1nc(CSc2nnc(-c3cc(F)ccc3)[nH]2)no1)=O

InChI

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

InChI Key

WYIFSZGFOGPXJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27218703

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

3.739

Distribution Coefficient, logD

2.538

Water Solubility, LogSw

-3.80

Polar Surface Area

87.259

Acid Dissociation Constant (pKa)

4.49

Base Dissociation Constant (pKb)

2.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with J021-3057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J021-3057?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J021-3057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J021-3057
  • 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 J021-3057 available by request