G672-0002 Screening compound: 5-[2-(azepan-1-yl)-2-oxoethyl]-N,N-dimethyl-6-oxo-5H,6H,6aH,7H,8H,9H,10H-pyrido[1,2-a]quinoxaline-3-sulfonamide

G672-0002 Screening compound: 5-[2-(azepan-1-yl)-2-oxoethyl]-N,N-dimethyl-6-oxo-5H,6H,6aH,7H,8H,9H,10H-pyrido[1,2-a]quinoxaline-3-sulfonamide
G672-0002 Screening compound: 5-[2-(azepan-1-yl)-2-oxoethyl]-N,N-dimethyl-6-oxo-5H,6H,6aH,7H,8H,9H,10H-pyrido[1,2-a]quinoxaline-3-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G672-0002
5-[2-(azepan-1-yl)-2-oxoethyl]-N,N-dimethyl-6-oxo-5H,6H,6aH,7H,8H,9H,10H-pyrido[1,2-a]quinoxaline-3-sulfonamide

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

G672-0002

Molecular Formula

C22H32N4O4S (C22 H32 N4 O4 S)

Compound Name

5-[2-(azepan-1-yl)-2-oxoethyl]-N,N-dimethyl-6-oxo-5H,6H,6aH,7H,8H,9H,10H-pyrido[1,2-a]quinoxaline-3-sulfonamide

IUPAC name

5-[2-(azepan-1-yl)-2-oxoethyl]-NN-dimethyl-6-oxo-5H6H6aH7H8H9H10H-pyrido[12-a]quinoxaline-3-sulfonamide

SMILES

CN(C)S(c(cc1)cc(N2CC(N3CCCCCC3)=O)c1N(CCCC1)C1C2=O)(=O)=O

InChI

InChI=1S/C22H32N4O4S/c1-23(2)31(29,30)17-10-11-18-20(15-17)26(22(28)19-9-5-8-14-25(18)19)16-21(27)24-12-6-3-4-7-13-24/h10-11,15,19H,3-9,12-14,16H2,1-2H3/t19-/m1/s1

InChI Key

UIMDETGRWSSSQW-LJQANCHMSA-N

MDL Number (MFCD)

MFCD15028260

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.046

Distribution Coefficient, logD

2.046

Water Solubility, LogSw

-2.77

Polar Surface Area

68.179

Acid Dissociation Constant (pKa)

15.09

Base Dissociation Constant (pKb)

2.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.60

G672-0002 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 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

References: we are preparing a list of scientific research reports with G672-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G672-0002?
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What is the minimum amount of G672-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G672-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G672-0002
  • 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 G672-0002 available by request