G672-0101 Screening compound: 2-[3-(dimethylsulfamoyl)-6-oxo-5H,6H,6aH,7H,8H,9H,10H-pyrido[1,2-a]quinoxalin-5-yl]-N-[(4-fluorophenyl)methyl]acetamide

G672-0101 Screening compound: 2-[3-(dimethylsulfamoyl)-6-oxo-5H,6H,6aH,7H,8H,9H,10H-pyrido[1,2-a]quinoxalin-5-yl]-N-[(4-fluorophenyl)methyl]acetamide
G672-0101 Screening compound: 2-[3-(dimethylsulfamoyl)-6-oxo-5H,6H,6aH,7H,8H,9H,10H-pyrido[1,2-a]quinoxalin-5-yl]-N-[(4-fluorophenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G672-0101
2-[3-(dimethylsulfamoyl)-6-oxo-5H,6H,6aH,7H,8H,9H,10H-pyrido[1,2-a]quinoxalin-5-yl]-N-[(4-fluorophenyl)methyl]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

G672-0101

Molecular Formula

C23H27FN4O4S (C23 H27 FN4 O4 S)

Compound Name

2-[3-(dimethylsulfamoyl)-6-oxo-5H,6H,6aH,7H,8H,9H,10H-pyrido[1,2-a]quinoxalin-5-yl]-N-[(4-fluorophenyl)methyl]acetamide

IUPAC name

2-[3-(dimethylsulfamoyl)-6-oxo-5H6H6aH7H8H9H10H-pyrido[12-a]quinoxalin-5-yl]-N-[(4-fluorophenyl)methyl]acetamide

SMILES

CN(C)S(c(cc1)cc(N2CC(NCc(cc3)ccc3F)=O)c1N(CCCC1)C1C2=O)(=O)=O

InChI

InChI=1S/C23H27FN4O4S/c1-26(2)33(31,32)18-10-11-19-21(13-18)28(23(30)20-5-3-4-12-27(19)20)15-22(29)25-14-16-6-8-17(24)9-7-16/h6-11,13,20H,3-5,12,14-15H2,1-2H3,(H,25,29)/t20-/m1/s1

InChI Key

LGGAXCUGZZNTJK-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD27150286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.228

Distribution Coefficient, logD

2.228

Water Solubility, LogSw

-2.89

Polar Surface Area

75.927

Acid Dissociation Constant (pKa)

12.58

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

G672-0101 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Lipid Metabolism Library (9174 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G672-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G672-0101?
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What is the minimum amount of G672-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G672-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G672-0101
  • 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 G672-0101 available by request