G196-0891 Screening compound: methyl 4-{2-[5-amino-3-(ethylsulfanyl)-4-(4-methylbenzenesulfonyl)-1H-pyrazol-1-yl]acetamido}benzoate

G196-0891 Screening compound: methyl 4-{2-[5-amino-3-(ethylsulfanyl)-4-(4-methylbenzenesulfonyl)-1H-pyrazol-1-yl]acetamido}benzoate
G196-0891 Screening compound: methyl 4-{2-[5-amino-3-(ethylsulfanyl)-4-(4-methylbenzenesulfonyl)-1H-pyrazol-1-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G196-0891
methyl 4-{2-[5-amino-3-(ethylsulfanyl)-4-(4-methylbenzenesulfonyl)-1H-pyrazol-1-yl]acetamido}benzoate

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

G196-0891

Molecular Formula

C22H24N4O5S2 (C22 H24 N4 O5 S2)

Compound Name

methyl 4-{2-[5-amino-3-(ethylsulfanyl)-4-(4-methylbenzenesulfonyl)-1H-pyrazol-1-yl]acetamido}benzoate

IUPAC name

methyl 4-{2-[5-amino-3-(ethylsulfanyl)-4-(4-methylbenzenesulfonyl)-1H-pyrazol-1-yl]acetamido}benzoate

SMILES

CCSc1nn(CC(Nc(cc2)ccc2C(OC)=O)=O)c(N)c1S(c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C22H24N4O5S2/c1-4-32-21-19(33(29,30)17-11-5-14(2)6-12-17)20(23)26(25-21)13-18(27)24-16-9-7-15(8-10-16)22(28)31-3/h5-12H,4,13,23H2,1-3H3,(H,24,27)

InChI Key

YLOKYWHBCUMVAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27210072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.392

Distribution Coefficient, logD

3.392

Water Solubility, LogSw

-3.76

Polar Surface Area

107.150

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

G196-0891 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Targeted Diversity Library (40567 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 G196-0891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G196-0891?
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What is the minimum amount of G196-0891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G196-0891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G196-0891
  • 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 G196-0891 available by request