G196-0281 Screening compound: methyl 4-{2-[5-amino-4-(benzenesulfonyl)-3-(methylsulfanyl)-1H-pyrazol-1-yl]acetamido}benzoate

G196-0281 Screening compound: methyl 4-{2-[5-amino-4-(benzenesulfonyl)-3-(methylsulfanyl)-1H-pyrazol-1-yl]acetamido}benzoate
G196-0281 Screening compound: methyl 4-{2-[5-amino-4-(benzenesulfonyl)-3-(methylsulfanyl)-1H-pyrazol-1-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G196-0281
methyl 4-{2-[5-amino-4-(benzenesulfonyl)-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

G196-0281

Molecular Formula

C20H20N4O5S2 (C20 H20 N4 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

COC(c(cc1)ccc1NC(Cn(c(N)c1S(c2ccccc2)(=O)=O)nc1SC)=O)=O

InChI

InChI=1S/C20H20N4O5S2/c1-29-20(26)13-8-10-14(11-9-13)22-16(25)12-24-18(21)17(19(23-24)30-2)31(27,28)15-6-4-3-5-7-15/h3-11H,12,21H2,1-2H3,(H,22,25)

InChI Key

LFSOWZMIKQZHPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08140618

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.397

Distribution Coefficient, logD

2.397

Water Solubility, LogSw

-2.92

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

15.00

References: we are preparing a list of scientific research reports with G196-0281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G196-0281?
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What is the minimum amount of G196-0281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G196-0281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G196-0281
  • 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 G196-0281 available by request