G199-0494 Screening compound: 2-{[2-(2-chlorophenyl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(4-methylphenyl)acetamide

G199-0494 Screening compound: 2-{[2-(2-chlorophenyl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(4-methylphenyl)acetamide
G199-0494 Screening compound: 2-{[2-(2-chlorophenyl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(4-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G199-0494
2-{[2-(2-chlorophenyl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(4-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

G199-0494

Molecular Formula

C20H16ClN5O2S (C20 H16 ClN5 O2 S)

Compound Name

2-{[2-(2-chlorophenyl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(4-methylphenyl)acetamide

IUPAC name

2-{[2-(2-chlorophenyl)-7-oxo-6H7H-pyrazolo[15-a][135]triazin-4-yl]sulfanyl}-N-(4-methylphenyl)acetamide

SMILES

Cc(cc1)ccc1NC(CSC(N1N2)=NC(c(cccc3)c3Cl)=NC1=CC2=O)=O

InChI

InChI=1S/C20H16ClN5O2S/c1-12-6-8-13(9-7-12)22-18(28)11-29-20-24-19(14-4-2-3-5-15(14)21)23-16-10-17(27)25-26(16)20/h2-10H,11H2,1H3,(H,22,28)(H,25,27)

InChI Key

KIBWIADWBKUYOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14984529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.560

Distribution Coefficient, logD

3.560

Water Solubility, LogSw

-3.93

Polar Surface Area

73.082

Acid Dissociation Constant (pKa)

12.90

Base Dissociation Constant (pKb)

3.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

G199-0494 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G199-0494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G199-0494?
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What is the minimum amount of G199-0494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G199-0494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G199-0494
  • 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 G199-0494 available by request