G587-0248 Screening compound: N-[3-(4-ethylpiperazin-1-yl)propyl]-6-oxo-5H,6H,6aH,7H,8H,9H,10H-pyrido[1,2-a]quinoxaline-3-carboxamide

G587-0248 Screening compound: N-[3-(4-ethylpiperazin-1-yl)propyl]-6-oxo-5H,6H,6aH,7H,8H,9H,10H-pyrido[1,2-a]quinoxaline-3-carboxamide
G587-0248 Screening compound: N-[3-(4-ethylpiperazin-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 G587-0248
N-[3-(4-ethylpiperazin-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

G587-0248

Molecular Formula

C22H33N5O2 (C22 H33 N5 O2)

Compound Name

N-[3-(4-ethylpiperazin-1-yl)propyl]-6-oxo-5H,6H,6aH,7H,8H,9H,10H-pyrido[1,2-a]quinoxaline-3-carboxamide

IUPAC name

N-[3-(4-ethylpiperazin-1-yl)propyl]-6-oxo-5H6H6aH7H8H9H10H-pyrido[12-a]quinoxaline-3-carboxamide

SMILES

CCN1CCN(CCCNC(c(cc2)cc(N3)c2N(CCCC2)C2C3=O)=O)CC1

InChI

InChI=1S/C22H33N5O2/c1-2-25-12-14-26(15-13-25)10-5-9-23-21(28)17-7-8-19-18(16-17)24-22(29)20-6-3-4-11-27(19)20/h7-8,16,20H,2-6,9-15H2,1H3,(H,23,28)(H,24,29)

InChI Key

WUNVHWLISWUJOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15021353

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.217

Distribution Coefficient, logD

0.268

Water Solubility, LogSw

-2.26

Polar Surface Area

59.341

Acid Dissociation Constant (pKa)

10.28

Base Dissociation Constant (pKb)

8.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.60

G587-0248 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)

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 G587-0248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G587-0248?
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What is the minimum amount of G587-0248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G587-0248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G587-0248
  • 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 G587-0248 available by request