G819-0235 Screening compound: N-[(2,4-dimethoxyphenyl)methyl]-2-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanesulfinyl}acetamide

G819-0235 Screening compound: N-[(2,4-dimethoxyphenyl)methyl]-2-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanesulfinyl}acetamide
G819-0235 Screening compound: N-[(2,4-dimethoxyphenyl)methyl]-2-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanesulfinyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G819-0235
N-[(2,4-dimethoxyphenyl)methyl]-2-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanesulfinyl}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

G819-0235

Molecular Formula

C25H26N4O4S (C25 H26 N4 O4 S)

Compound Name

N-[(2,4-dimethoxyphenyl)methyl]-2-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanesulfinyl}acetamide

IUPAC name

N-[(24-dimethoxyphenyl)methyl]-2-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanesulfinyl}acetamide

SMILES

COc1cc(OC)c(CNC(CS(Cc2c(-n3cccc3)n(-c3ccccc3)nc2)=O)=O)cc1

InChI

InChI=1S/C25H28N4O4S/c1-32-22-11-10-19(23(14-22)33-2)15-26-24(30)18-34(31)17-20-16-27-29(21-8-4-3-5-9-21)25(20)28-12-6-7-13-28/h3-14,16H,15,17-18,34H2,1-2H3,(H,26,30)

InChI Key

FXIHHNCJJQLYHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15039020

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.627

Distribution Coefficient, logD

3.627

Water Solubility, LogSw

-3.82

Polar Surface Area

71.513

Acid Dissociation Constant (pKa)

13.32

Base Dissociation Constant (pKb)

1.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

G819-0235 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

SH2 Library (10483 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with G819-0235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G819-0235?
Check Price and Availability of G819-0235, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G819-0235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G819-0235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G819-0235
  • 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 G819-0235 available by request