J021-3691 Screening compound: N-(3,5-dimethylphenyl)-3-[3-({[5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide

J021-3691 Screening compound: N-(3,5-dimethylphenyl)-3-[3-({[5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide
J021-3691 Screening compound: N-(3,5-dimethylphenyl)-3-[3-({[5-(pyridin-3-yl)-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 J021-3691
N-(3,5-dimethylphenyl)-3-[3-({[5-(pyridin-3-yl)-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

J021-3691

Molecular Formula

C21H21N7O2S (C21 H21 N7 O2 S)

Compound Name

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

IUPAC name

N-(35-dimethylphenyl)-3-[3-({[5-(pyridin-3-yl)-4H-124-triazol-3-yl]sulfanyl}methyl)-124-oxadiazol-5-yl]propanamide

SMILES

Cc1cc(NC(CCc2nc(CSc3nnc(-c4cnccc4)[nH]3)no2)=O)cc(C)c1

InChI

InChI=1S/C21H21N7O2S/c1-13-8-14(2)10-16(9-13)23-18(29)5-6-19-24-17(28-30-19)12-31-21-25-20(26-27-21)15-4-3-7-22-11-15/h3-4,7-11H,5-6,12H2,1-2H3,(H,23,29)(H,25,26,27)

InChI Key

XRDFOIMSLAQUHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27218851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.408

Distribution Coefficient, logD

1.282

Water Solubility, LogSw

-2.47

Polar Surface Area

97.475

Acid Dissociation Constant (pKa)

6.31

Base Dissociation Constant (pKb)

5.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with J021-3691 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 J021-3691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J021-3691
  • 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 J021-3691 available by request