G587-1068 Screening compound: N-benzyl-6-oxo-5-(prop-2-en-1-yl)-5H,6H,6aH,7H,8H,9H,10H-pyrido[1,2-a]quinoxaline-3-carboxamide

G587-1068 Screening compound: N-benzyl-6-oxo-5-(prop-2-en-1-yl)-5H,6H,6aH,7H,8H,9H,10H-pyrido[1,2-a]quinoxaline-3-carboxamide
G587-1068 Screening compound: N-benzyl-6-oxo-5-(prop-2-en-1-yl)-5H,6H,6aH,7H,8H,9H,10H-pyrido[1,2-a]quinoxaline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G587-1068
N-benzyl-6-oxo-5-(prop-2-en-1-yl)-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

G587-1068

Molecular Formula

C23H25N3O2 (C23 H25 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

C=CCN1c(cc(cc2)C(NCc3ccccc3)=O)c2N(CCCC2)C2C1=O

InChI

InChI=1S/C23H25N3O2/c1-2-13-26-21-15-18(22(27)24-16-17-8-4-3-5-9-17)11-12-19(21)25-14-7-6-10-20(25)23(26)28/h2-5,8-9,11-12,15,20H,1,6-7,10,13-14,16H2,(H,24,27)/t20-/m0/s1

InChI Key

MMSMVLBCCVURHD-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD15021490

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.036

Distribution Coefficient, logD

3.036

Water Solubility, LogSw

-3.46

Polar Surface Area

42.455

Acid Dissociation Constant (pKa)

12.17

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

G587-1068 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

STING Agonist Library (5895 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G587-1068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G587-1068?
Check Price and Availability of G587-1068, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G587-1068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G587-1068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G587-1068
  • 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 G587-1068 available by request