J021-3529 Screening compound: N-(2,3-dimethylphenyl)-3-[3-({[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide

J021-3529 Screening compound: N-(2,3-dimethylphenyl)-3-[3-({[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide
J021-3529 Screening compound: N-(2,3-dimethylphenyl)-3-[3-({[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J021-3529
N-(2,3-dimethylphenyl)-3-[3-({[5-(pyridin-4-yl)-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

J021-3529

Molecular Formula

C21H20N6O3S (C21 H20 N6 O3 S)

Compound Name

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

IUPAC name

N-(23-dimethylphenyl)-3-[3-({[5-(pyridin-4-yl)-134-oxadiazol-2-yl]sulfanyl}methyl)-124-oxadiazol-5-yl]propanamide

SMILES

Cc1cccc(NC(CCc2nc(CSc3nnc(-c4ccncc4)o3)no2)=O)c1C

InChI

InChI=1S/C21H20N6O3S/c1-13-4-3-5-16(14(13)2)23-18(28)6-7-19-24-17(27-30-19)12-31-21-26-25-20(29-21)15-8-10-22-11-9-15/h3-5,8-11H,6-7,12H2,1-2H3,(H,23,28)

InChI Key

PADQPPPZYBPOAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD24847742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.693

Distribution Coefficient, logD

2.692

Water Solubility, LogSw

-2.66

Polar Surface Area

94.277

Acid Dissociation Constant (pKa)

12.46

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with J021-3529 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J021-3529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J021-3529
  • 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 J021-3529 available by request