G587-0629 Screening compound: N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-5-methyl-6-oxo-5H,6H,6aH,7H,8H,9H,10H-pyrido[1,2-a]quinoxaline-3-carboxamide

G587-0629 Screening compound: N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-5-methyl-6-oxo-5H,6H,6aH,7H,8H,9H,10H-pyrido[1,2-a]quinoxaline-3-carboxamide
G587-0629 Screening compound: N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-5-methyl-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 G587-0629
N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-5-methyl-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

G587-0629

Molecular Formula

C29H39N5O2 (C29 H39 N5 O2)

Compound Name

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

IUPAC name

N-{3-[4-(25-dimethylphenyl)piperazin-1-yl]propyl}-5-methyl-6-oxo-5H6H6aH7H8H9H10H-pyrido[12-a]quinoxaline-3-carboxamide

SMILES

Cc1cc(N2CCN(CCCNC(c(cc3)cc(N4C)c3N(CCCC3)C3C4=O)=O)CC2)c(C)cc1

InChI

InChI=1S/C29H39N5O2/c1-21-8-9-22(2)26(19-21)33-17-15-32(16-18-33)13-6-12-30-28(35)23-10-11-24-27(20-23)31(3)29(36)25-7-4-5-14-34(24)25/h8-11,19-20,25H,4-7,12-18H2,1-3H3,(H,30,35)/t25-/m0/s1

InChI Key

JFMCEBYLAIUKFI-VWLOTQADSA-N

MDL Number (MFCD)

MFCD15021480

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.66

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.402

Distribution Coefficient, logD

2.256

Water Solubility, LogSw

-3.66

Polar Surface Area

49.026

Acid Dissociation Constant (pKa)

14.68

Base Dissociation Constant (pKb)

8.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

51.70

G587-0629 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G587-0629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G587-0629?
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What is the minimum amount of G587-0629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G587-0629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G587-0629
  • 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 G587-0629 available by request