G587-0035 Screening compound: 3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-5H,6H,6aH,7H,8H,9H,10H-pyrido[1,2-a]quinoxalin-6-one

G587-0035 Screening compound: 3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-5H,6H,6aH,7H,8H,9H,10H-pyrido[1,2-a]quinoxalin-6-one
G587-0035 Screening compound: 3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-5H,6H,6aH,7H,8H,9H,10H-pyrido[1,2-a]quinoxalin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G587-0035
3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-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

G587-0035

Molecular Formula

C25H28N4O4 (C25 H28 N4 O4)

Compound Name

3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-5H,6H,6aH,7H,8H,9H,10H-pyrido[1,2-a]quinoxalin-6-one

IUPAC name

3-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-5H6H6aH7H8H9H10H-pyrido[12-a]quinoxalin-6-one

SMILES

O=C(c(cc1)cc(N2)c1N(CCCC1)C1C2=O)N1CCN(Cc(cc2)cc3c2OCO3)CC1

InChI

InChI=1S/C25H28N4O4/c30-24-21-3-1-2-8-29(21)20-6-5-18(14-19(20)26-24)25(31)28-11-9-27(10-12-28)15-17-4-7-22-23(13-17)33-16-32-22/h4-7,13-14,21H,1-3,8-12,15-16H2,(H,26,30)/t21-/m0/s1

InChI Key

KEPOSYCXRSSGCJ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD15021301

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.282

Distribution Coefficient, logD

2.090

Water Solubility, LogSw

-2.97

Polar Surface Area

64.871

Acid Dissociation Constant (pKa)

11.00

Base Dissociation Constant (pKb)

7.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

G587-0035 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G587-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G587-0035?
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What is the minimum amount of G587-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G587-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G587-0035
  • 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 G587-0035 available by request