J041-0025 Screening compound: 2-{[6-(2-acetamido-3-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide

J041-0025 Screening compound: 2-{[6-(2-acetamido-3-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide
J041-0025 Screening compound: 2-{[6-(2-acetamido-3-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J041-0025
2-{[6-(2-acetamido-3-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide

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

J041-0025

Molecular Formula

C21H21N5O3S (C21 H21 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(Nc(c(C)ccc1)c1C(C(N1)=O)=NN=C1SCC(Nc1c(C)cccc1)=O)=O

InChI

InChI=1S/C21H21N5O3S/c1-12-7-4-5-10-16(12)23-17(28)11-30-21-24-20(29)19(25-26-21)15-9-6-8-13(2)18(15)22-14(3)27/h4-10H,11H2,1-3H3,(H,22,27)(H,23,28)(H,24,26,29)

InChI Key

HFGNFXKVRQCPHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27221692

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.638

Distribution Coefficient, logD

1.604

Water Solubility, LogSw

-2.55

Polar Surface Area

89.114

Acid Dissociation Constant (pKa)

8.49

Base Dissociation Constant (pKb)

2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with J041-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J041-0025?
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What is the minimum amount of J041-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J041-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J041-0025
  • 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 J041-0025 available by request