J021-2398 Screening compound: 3-(3-{[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide

J021-2398 Screening compound: 3-(3-{[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
J021-2398 Screening compound: 3-(3-{[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J021-2398
3-(3-{[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]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

J021-2398

Molecular Formula

C16H15F3N6O2S (C16 H15 F3 N6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc([nH]1)nnc1SCc1noc(CCC(Nc2ccc(C(F)(F)F)cc2)=O)n1

InChI

InChI=1S/C16H15F3N6O2S/c1-9-20-15(24-23-9)28-8-12-22-14(27-25-12)7-6-13(26)21-11-4-2-10(3-5-11)16(17,18)19/h2-5H,6-8H2,1H3,(H,21,26)(H,20,23,24)

InChI Key

WZSQFZFOVGDDFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15078550

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.4

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

2.194

Distribution Coefficient, logD

1.769

Water Solubility, LogSw

-2.71

Polar Surface Area

87.841

Acid Dissociation Constant (pKa)

8.62

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

References: we are preparing a list of scientific research reports with J021-2398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J021-2398?
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What is the minimum amount of J021-2398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J021-2398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J021-2398
  • 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 J021-2398 available by request