C200-6229 Screening compound: N-(3-chloro-4-methylphenyl)-2-{[2-(4-methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamide

C200-6229 Screening compound: N-(3-chloro-4-methylphenyl)-2-{[2-(4-methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamide
C200-6229 Screening compound: N-(3-chloro-4-methylphenyl)-2-{[2-(4-methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-6229
N-(3-chloro-4-methylphenyl)-2-{[2-(4-methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}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

C200-6229

Molecular Formula

C21H18ClN5O3S (C21 H18 ClN5 O3 S)

Compound Name

N-(3-chloro-4-methylphenyl)-2-{[2-(4-methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamide

IUPAC name

N-(3-chloro-4-methylphenyl)-2-{[2-(4-methoxyphenyl)-4-oxo-4H5H-pyrazolo[15-d][124]triazin-7-yl]sulfanyl}acetamide

SMILES

Cc(ccc(NC(CSC(n(c1c2)nc2-c(cc2)ccc2OC)=NNC1=O)=O)c1)c1Cl

InChI

InChI=1S/C21H18ClN5O3S/c1-12-3-6-14(9-16(12)22)23-19(28)11-31-21-25-24-20(29)18-10-17(26-27(18)21)13-4-7-15(30-2)8-5-13/h3-10H,11H2,1-2H3,(H,23,28)(H,24,29)

InChI Key

MONSBKOUQKSFHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09981691

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.92

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.859

Distribution Coefficient, logD

4.858

Water Solubility, LogSw

-4.96

Polar Surface Area

82.008

Acid Dissociation Constant (pKa)

9.85

Base Dissociation Constant (pKb)

2.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

C200-6229 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C200-6229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-6229?
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What is the minimum amount of C200-6229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-6229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-6229
  • 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 C200-6229 available by request