G196-1364 Screening compound: ethyl 4-{2-[5-amino-4-(4-fluorobenzenesulfonyl)-3-(methylsulfanyl)-1H-pyrazol-1-yl]acetamido}benzoate

G196-1364 Screening compound: ethyl 4-{2-[5-amino-4-(4-fluorobenzenesulfonyl)-3-(methylsulfanyl)-1H-pyrazol-1-yl]acetamido}benzoate
G196-1364 Screening compound: ethyl 4-{2-[5-amino-4-(4-fluorobenzenesulfonyl)-3-(methylsulfanyl)-1H-pyrazol-1-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G196-1364
ethyl 4-{2-[5-amino-4-(4-fluorobenzenesulfonyl)-3-(methylsulfanyl)-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

G196-1364

Molecular Formula

C21H21FN4O5S2 (C21 H21 FN4 O5 S2)

Compound Name

ethyl 4-{2-[5-amino-4-(4-fluorobenzenesulfonyl)-3-(methylsulfanyl)-1H-pyrazol-1-yl]acetamido}benzoate

IUPAC name

ethyl 4-{2-[5-amino-4-(4-fluorobenzenesulfonyl)-3-(methylsulfanyl)-1H-pyrazol-1-yl]acetamido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(Cn(c(N)c1S(c(cc2)ccc2F)(=O)=O)nc1SC)=O)=O

InChI

InChI=1S/C21H21FN4O5S2/c1-3-31-21(28)13-4-8-15(9-5-13)24-17(27)12-26-19(23)18(20(25-26)32-2)33(29,30)16-10-6-14(22)7-11-16/h4-11H,3,12,23H2,1-2H3,(H,24,27)

InChI Key

XMNALQUSUDWSHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27210159

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.55

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

3.122

Distribution Coefficient, logD

3.122

Water Solubility, LogSw

-3.37

Polar Surface Area

106.730

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

G196-1364 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 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 G196-1364 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G196-1364?
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What is the minimum amount of G196-1364 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G196-1364
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G196-1364
  • 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 G196-1364 available by request