G196-1697 Screening compound: 2-[5-amino-3-(ethylsulfanyl)-4-(4-methoxybenzenesulfonyl)-1H-pyrazol-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide

G196-1697 Screening compound: 2-[5-amino-3-(ethylsulfanyl)-4-(4-methoxybenzenesulfonyl)-1H-pyrazol-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
G196-1697 Screening compound: 2-[5-amino-3-(ethylsulfanyl)-4-(4-methoxybenzenesulfonyl)-1H-pyrazol-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G196-1697
2-[5-amino-3-(ethylsulfanyl)-4-(4-methoxybenzenesulfonyl)-1H-pyrazol-1-yl]-N-(4-chloro-2-methoxy-5-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

G196-1697

Molecular Formula

C22H25ClN4O5S2 (C22 H25 ClN4 O5 S2)

Compound Name

2-[5-amino-3-(ethylsulfanyl)-4-(4-methoxybenzenesulfonyl)-1H-pyrazol-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide

IUPAC name

2-[5-amino-3-(ethylsulfanyl)-4-(4-methoxybenzenesulfonyl)-1H-pyrazol-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide

SMILES

CCSc1nn(CC(Nc(c(OC)c2)cc(C)c2Cl)=O)c(N)c1S(c(cc1)ccc1OC)(=O)=O

InChI

InChI=1S/C22H25ClN4O5S2/c1-5-33-22-20(34(29,30)15-8-6-14(31-3)7-9-15)21(24)27(26-22)12-19(28)25-17-10-13(2)16(23)11-18(17)32-4/h6-11H,5,12,24H2,1-4H3,(H,25,28)

InChI Key

JZYUXEQCIJGTJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27210230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.05

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.812

Distribution Coefficient, logD

3.809

Water Solubility, LogSw

-4.23

Polar Surface Area

100.452

Acid Dissociation Constant (pKa)

9.68

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

G196-1697 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Targeted Diversity Library (40567 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G196-1697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G196-1697?
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What is the minimum amount of G196-1697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G196-1697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G196-1697
  • 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 G196-1697 available by request