J021-2020 Screening compound: 3-[3-({[5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-(1,3-thiazol-2-yl)propanamide

J021-2020 Screening compound: 3-[3-({[5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-(1,3-thiazol-2-yl)propanamide
J021-2020 Screening compound: 3-[3-({[5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-(1,3-thiazol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J021-2020
3-[3-({[5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-(1,3-thiazol-2-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

J021-2020

Molecular Formula

C18H17N7O2S2 (C18 H17 N7 O2 S2)

Compound Name

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

IUPAC name

3-[3-({[5-(3-methylphenyl)-4H-124-triazol-3-yl]sulfanyl}methyl)-124-oxadiazol-5-yl]-N-(13-thiazol-2-yl)propanamide

SMILES

Cc1cccc(-c([nH]2)nnc2SCc2noc(CCC(Nc3nccs3)=O)n2)c1

InChI

InChI=1S/C18H17N7O2S2/c1-11-3-2-4-12(9-11)16-22-18(24-23-16)29-10-13-20-15(27-25-13)6-5-14(26)21-17-19-7-8-28-17/h2-4,7-9H,5-6,10H2,1H3,(H,19,21,26)(H,22,23,24)

InChI Key

PRYAPRZRIGLTJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27218569

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.51

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

2.671

Distribution Coefficient, logD

1.610

Water Solubility, LogSw

-2.97

Polar Surface Area

98.435

Acid Dissociation Constant (pKa)

4.85

Base Dissociation Constant (pKb)

3.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with J021-2020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J021-2020?
Check Price and Availability of J021-2020, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of J021-2020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J021-2020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J021-2020
  • 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 J021-2020 available by request