G672-0249 Screening compound: 5-[2-(azepan-1-yl)-2-oxoethyl]-3-(pyrrolidine-1-sulfonyl)-5H,6H,6aH,7H,8H,9H,10H-pyrido[1,2-a]quinoxalin-6-one

G672-0249 Screening compound: 5-[2-(azepan-1-yl)-2-oxoethyl]-3-(pyrrolidine-1-sulfonyl)-5H,6H,6aH,7H,8H,9H,10H-pyrido[1,2-a]quinoxalin-6-one
G672-0249 Screening compound: 5-[2-(azepan-1-yl)-2-oxoethyl]-3-(pyrrolidine-1-sulfonyl)-5H,6H,6aH,7H,8H,9H,10H-pyrido[1,2-a]quinoxalin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G672-0249
5-[2-(azepan-1-yl)-2-oxoethyl]-3-(pyrrolidine-1-sulfonyl)-5H,6H,6aH,7H,8H,9H,10H-pyrido[1,2-a]quinoxalin-6-one

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

G672-0249

Molecular Formula

C24H34N4O4S (C24 H34 N4 O4 S)

Compound Name

5-[2-(azepan-1-yl)-2-oxoethyl]-3-(pyrrolidine-1-sulfonyl)-5H,6H,6aH,7H,8H,9H,10H-pyrido[1,2-a]quinoxalin-6-one

IUPAC name

5-[2-(azepan-1-yl)-2-oxoethyl]-3-(pyrrolidine-1-sulfonyl)-5H6H6aH7H8H9H10H-pyrido[12-a]quinoxalin-6-one

SMILES

O=C(CN1c(cc(cc2)S(N3CCCC3)(=O)=O)c2N(CCCC2)C2C1=O)N1CCCCCC1

InChI

InChI=1S/C24H34N4O4S/c29-23(25-12-4-1-2-5-13-25)18-28-22-17-19(33(31,32)26-14-7-8-15-26)10-11-20(22)27-16-6-3-9-21(27)24(28)30/h10-11,17,21H,1-9,12-16,18H2/t21-/m1/s1

InChI Key

CFPPQZZBZXWBSP-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD15028268

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.62

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

2.475

Distribution Coefficient, logD

2.475

Water Solubility, LogSw

-2.81

Polar Surface Area

66.592

Acid Dissociation Constant (pKa)

15.09

Base Dissociation Constant (pKb)

2.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.70

G672-0249 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 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 G672-0249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G672-0249?
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What is the minimum amount of G672-0249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G672-0249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G672-0249
  • 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 G672-0249 available by request