G672-0091 Screening compound: 2-[3-(dimethylsulfamoyl)-6-oxo-5H,6H,6aH,7H,8H,9H,10H-pyrido[1,2-a]quinoxalin-5-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

G672-0091 Screening compound: 2-[3-(dimethylsulfamoyl)-6-oxo-5H,6H,6aH,7H,8H,9H,10H-pyrido[1,2-a]quinoxalin-5-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
G672-0091 Screening compound: 2-[3-(dimethylsulfamoyl)-6-oxo-5H,6H,6aH,7H,8H,9H,10H-pyrido[1,2-a]quinoxalin-5-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G672-0091
2-[3-(dimethylsulfamoyl)-6-oxo-5H,6H,6aH,7H,8H,9H,10H-pyrido[1,2-a]quinoxalin-5-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]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

G672-0091

Molecular Formula

C23H33N5O5S (C23 H33 N5 O5 S)

Compound Name

2-[3-(dimethylsulfamoyl)-6-oxo-5H,6H,6aH,7H,8H,9H,10H-pyrido[1,2-a]quinoxalin-5-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

IUPAC name

2-[3-(dimethylsulfamoyl)-6-oxo-5H6H6aH7H8H9H10H-pyrido[12-a]quinoxalin-5-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

SMILES

CN(C)S(c(cc1)cc(N2CC(NCCCN(CCC3)C3=O)=O)c1N(CCCC1)C1C2=O)(=O)=O

InChI

InChI=1S/C23H33N5O5S/c1-25(2)34(32,33)17-9-10-18-20(15-17)28(23(31)19-7-3-4-14-27(18)19)16-21(29)24-11-6-13-26-12-5-8-22(26)30/h9-10,15,19H,3-8,11-14,16H2,1-2H3,(H,24,29)/t19-/m1/s1

InChI Key

IHFFPJGCQHEMRW-LJQANCHMSA-N

MDL Number (MFCD)

MFCD27150277

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.61

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.136

Distribution Coefficient, logD

-0.136

Water Solubility, LogSw

-2.58

Polar Surface Area

93.281

Acid Dissociation Constant (pKa)

15.09

Base Dissociation Constant (pKb)

4.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.90

G672-0091 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

GPCR Targeted Library (31838 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G672-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G672-0091?
Check Price and Availability of G672-0091, 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 G672-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G672-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G672-0091
  • 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 G672-0091 available by request