G196-0894 Screening compound: 2-[5-amino-3-(ethylsulfanyl)-4-(4-methylbenzenesulfonyl)-1H-pyrazol-1-yl]-N-(3-ethylphenyl)acetamide

G196-0894 Screening compound: 2-[5-amino-3-(ethylsulfanyl)-4-(4-methylbenzenesulfonyl)-1H-pyrazol-1-yl]-N-(3-ethylphenyl)acetamide
G196-0894 Screening compound: 2-[5-amino-3-(ethylsulfanyl)-4-(4-methylbenzenesulfonyl)-1H-pyrazol-1-yl]-N-(3-ethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G196-0894
2-[5-amino-3-(ethylsulfanyl)-4-(4-methylbenzenesulfonyl)-1H-pyrazol-1-yl]-N-(3-ethylphenyl)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

G196-0894

Molecular Formula

C22H26N4O3S2 (C22 H26 N4 O3 S2)

Compound Name

2-[5-amino-3-(ethylsulfanyl)-4-(4-methylbenzenesulfonyl)-1H-pyrazol-1-yl]-N-(3-ethylphenyl)acetamide

IUPAC name

2-[5-amino-3-(ethylsulfanyl)-4-(4-methylbenzenesulfonyl)-1H-pyrazol-1-yl]-N-(3-ethylphenyl)acetamide

SMILES

CCc1cccc(NC(Cn(c(N)c2S(c3ccc(C)cc3)(=O)=O)nc2SCC)=O)c1

InChI

InChI=1S/C22H26N4O3S2/c1-4-16-7-6-8-17(13-16)24-19(27)14-26-21(23)20(22(25-26)30-5-2)31(28,29)18-11-9-15(3)10-12-18/h6-13H,4-5,14,23H2,1-3H3,(H,24,27)

InChI Key

CPNHAXIWRUTXEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27210074

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.092

Distribution Coefficient, logD

4.092

Water Solubility, LogSw

-4.21

Polar Surface Area

85.976

Acid Dissociation Constant (pKa)

12.95

Base Dissociation Constant (pKb)

1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

G196-0894 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Targeted Diversity Library (40567 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G196-0894 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G196-0894?
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What is the minimum amount of G196-0894 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G196-0894
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G196-0894
  • 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 G196-0894 available by request