J041-0195 Screening compound: N-(4-methylphenyl)-2-{[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}propanamide

J041-0195 Screening compound: N-(4-methylphenyl)-2-{[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}propanamide
J041-0195 Screening compound: N-(4-methylphenyl)-2-{[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J041-0195
N-(4-methylphenyl)-2-{[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}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

J041-0195

Molecular Formula

C22H23N5O3S (C22 H23 N5 O3 S)

Compound Name

N-(4-methylphenyl)-2-{[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}propanamide

IUPAC name

N-(4-methylphenyl)-2-{[5-oxo-6-(2-propanamidophenyl)-45-dihydro-124-triazin-3-yl]sulfanyl}propanamide

SMILES

CCC(Nc(cccc1)c1C(C(N1)=O)=NN=C1SC(C)C(Nc1ccc(C)cc1)=O)=O

InChI

InChI=1S/C22H23N5O3S/c1-4-18(28)24-17-8-6-5-7-16(17)19-21(30)25-22(27-26-19)31-14(3)20(29)23-15-11-9-13(2)10-12-15/h5-12,14H,4H2,1-3H3,(H,23,29)(H,24,28)(H,25,27,30)/t14-/m0/s1

InChI Key

PZEZXGWIFOKNNJ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27221743

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.438

Distribution Coefficient, logD

3.376

Water Solubility, LogSw

-3.73

Polar Surface Area

90.610

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

1.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with J041-0195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J041-0195?
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What is the minimum amount of J041-0195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J041-0195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J041-0195
  • 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 J041-0195 available by request