G196-0428 Screening compound: methyl 4-{2-[5-amino-4-(4-methoxybenzenesulfonyl)-3-(methylsulfanyl)-1H-pyrazol-1-yl]acetamido}benzoate

G196-0428 Screening compound: methyl 4-{2-[5-amino-4-(4-methoxybenzenesulfonyl)-3-(methylsulfanyl)-1H-pyrazol-1-yl]acetamido}benzoate
G196-0428 Screening compound: methyl 4-{2-[5-amino-4-(4-methoxybenzenesulfonyl)-3-(methylsulfanyl)-1H-pyrazol-1-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G196-0428
methyl 4-{2-[5-amino-4-(4-methoxybenzenesulfonyl)-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

G196-0428

Molecular Formula

C21H22N4O6S2 (C21 H22 N4 O6 S2)

Compound Name

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

IUPAC name

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

SMILES

COC(c(cc1)ccc1NC(Cn(c(N)c1S(c(cc2)ccc2OC)(=O)=O)nc1SC)=O)=O

InChI

InChI=1S/C21H22N4O6S2/c1-30-15-8-10-16(11-9-15)33(28,29)18-19(22)25(24-20(18)32-3)12-17(26)23-14-6-4-13(5-7-14)21(27)31-2/h4-11H,12,22H2,1-3H3,(H,23,26)

InChI Key

QUMVPOMWGGEOTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27210045

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.56

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.564

Distribution Coefficient, logD

2.564

Water Solubility, LogSw

-2.98

Polar Surface Area

114.694

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with G196-0428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G196-0428?
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What is the minimum amount of G196-0428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G196-0428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G196-0428
  • 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 G196-0428 available by request