G587-0241 Screening compound: N-[3-(azepan-1-yl)propyl]-6-oxo-5H,6H,6aH,7H,8H,9H,10H-pyrido[1,2-a]quinoxaline-3-carboxamide

G587-0241 Screening compound: N-[3-(azepan-1-yl)propyl]-6-oxo-5H,6H,6aH,7H,8H,9H,10H-pyrido[1,2-a]quinoxaline-3-carboxamide
G587-0241 Screening compound: N-[3-(azepan-1-yl)propyl]-6-oxo-5H,6H,6aH,7H,8H,9H,10H-pyrido[1,2-a]quinoxaline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G587-0241
N-[3-(azepan-1-yl)propyl]-6-oxo-5H,6H,6aH,7H,8H,9H,10H-pyrido[1,2-a]quinoxaline-3-carboxamide

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

G587-0241

Molecular Formula

C22H32N4O2 (C22 H32 N4 O2)

Compound Name

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

IUPAC name

N-[3-(azepan-1-yl)propyl]-6-oxo-5H6H6aH7H8H9H10H-pyrido[12-a]quinoxaline-3-carboxamide

SMILES

O=C(c(cc1)cc(N2)c1N(CCCC1)C1C2=O)NCCCN1CCCCCC1

InChI

InChI=1S/C22H32N4O2/c27-21(23-11-7-14-25-12-4-1-2-5-13-25)17-9-10-19-18(16-17)24-22(28)20-8-3-6-15-26(19)20/h9-10,16,20H,1-8,11-15H2,(H,23,27)(H,24,28)/t20-/m0/s1

InChI Key

DIJBZAHJMXWTRI-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD15021347

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.561

Distribution Coefficient, logD

-0.009

Water Solubility, LogSw

-2.97

Polar Surface Area

56.135

Acid Dissociation Constant (pKa)

10.28

Base Dissociation Constant (pKb)

9.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.60

G587-0241 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Library (67538 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with G587-0241 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G587-0241?
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What is the minimum amount of G587-0241 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G587-0241
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G587-0241
  • 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 G587-0241 available by request