G587-0171 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-6-oxo-5H,6H,6aH,7H,8H,9H,10H-pyrido[1,2-a]quinoxaline-3-carboxamide

G587-0171 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-6-oxo-5H,6H,6aH,7H,8H,9H,10H-pyrido[1,2-a]quinoxaline-3-carboxamide
G587-0171 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-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 G587-0171
N-[2-(cyclohex-1-en-1-yl)ethyl]-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

G587-0171

Molecular Formula

C21H27N3O2 (C21 H27 N3 O2)

Compound Name

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

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-6-oxo-5H6H6aH7H8H9H10H-pyrido[12-a]quinoxaline-3-carboxamide

SMILES

O=C(c(cc1)cc(N2)c1N(CCCC1)C1C2=O)NCCC1=CCCCC1

InChI

InChI=1S/C21H27N3O2/c25-20(22-12-11-15-6-2-1-3-7-15)16-9-10-18-17(14-16)23-21(26)19-8-4-5-13-24(18)19/h6,9-10,14,19H,1-5,7-8,11-13H2,(H,22,25)(H,23,26)/t19-/m0/s1

InChI Key

SSGNTJFTLNPIAE-IBGZPJMESA-N

MDL Number (MFCD)

MFCD15021332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.067

Distribution Coefficient, logD

3.066

Water Solubility, LogSw

-3.44

Polar Surface Area

52.014

Acid Dissociation Constant (pKa)

10.28

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.40

G587-0171 in Drug Discovery

Included in Screening Libraries

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

Antiviral Library (67538 compounds)

GPCR Targeted Library (31838 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Anti-HIV1 Library (19540 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
  • Respiratory tract
  • Otorhinolaryngologic
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • GPCR
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with G587-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G587-0171?
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What is the minimum amount of G587-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G587-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G587-0171
  • 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 G587-0171 available by request