J021-1403 Screening compound: N-(2-methoxyphenyl)-3-(3-{[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide

J021-1403 Screening compound: N-(2-methoxyphenyl)-3-(3-{[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
J021-1403 Screening compound: N-(2-methoxyphenyl)-3-(3-{[(5-methyl-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 J021-1403
N-(2-methoxyphenyl)-3-(3-{[(5-methyl-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

J021-1403

Molecular Formula

C16H18N6O3S (C16 H18 N6 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc([nH]1)nnc1SCc1noc(CCC(Nc(cccc2)c2OC)=O)n1

InChI

InChI=1S/C16H18N6O3S/c1-10-17-16(21-20-10)26-9-13-19-15(25-22-13)8-7-14(23)18-11-5-3-4-6-12(11)24-2/h3-6H,7-9H2,1-2H3,(H,18,23)(H,17,20,21)

InChI Key

IQPWSFFCQIJWSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27218489

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.42

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

1.074

Distribution Coefficient, logD

0.649

Water Solubility, LogSw

-2.22

Polar Surface Area

94.774

Acid Dissociation Constant (pKa)

8.62

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

J021-1403 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with J021-1403 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J021-1403?
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What is the minimum amount of J021-1403 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J021-1403
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J021-1403
  • 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 J021-1403 available by request