G587-0381 Screening compound: 5-methyl-6-oxo-N-[(3,4,5-triethoxyphenyl)methyl]-5H,6H,6aH,7H,8H,9H,10H-pyrido[1,2-a]quinoxaline-3-carboxamide

G587-0381 Screening compound: 5-methyl-6-oxo-N-[(3,4,5-triethoxyphenyl)methyl]-5H,6H,6aH,7H,8H,9H,10H-pyrido[1,2-a]quinoxaline-3-carboxamide
G587-0381 Screening compound: 5-methyl-6-oxo-N-[(3,4,5-triethoxyphenyl)methyl]-5H,6H,6aH,7H,8H,9H,10H-pyrido[1,2-a]quinoxaline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G587-0381
5-methyl-6-oxo-N-[(3,4,5-triethoxyphenyl)methyl]-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

G587-0381

Molecular Formula

C27H35N3O5 (C27 H35 N3 O5)

Compound Name

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

IUPAC name

5-methyl-6-oxo-N-[(345-triethoxyphenyl)methyl]-5H6H6aH7H8H9H10H-pyrido[12-a]quinoxaline-3-carboxamide

SMILES

CCOc1cc(CNC(c(cc2)cc(N3C)c2N(CCCC2)C2C3=O)=O)cc(OCC)c1OCC

InChI

InChI=1S/C27H35N3O5/c1-5-33-23-14-18(15-24(34-6-2)25(23)35-7-3)17-28-26(31)19-11-12-20-22(16-19)29(4)27(32)21-10-8-9-13-30(20)21/h11-12,14-16,21H,5-10,13,17H2,1-4H3,(H,28,31)/t21-/m0/s1

InChI Key

ZXTNYJWAORRSEI-NRFANRHFSA-N

MDL Number (MFCD)

MFCD15021407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.058

Distribution Coefficient, logD

3.058

Water Solubility, LogSw

-3.39

Polar Surface Area

63.960

Acid Dissociation Constant (pKa)

14.18

Base Dissociation Constant (pKb)

4.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.10

G587-0381 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G587-0381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G587-0381?
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What is the minimum amount of G587-0381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G587-0381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G587-0381
  • 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 G587-0381 available by request