7399-0565 Screening compound: 2-(1-benzoyl-3-oxo-decahydroquinoxalin-2-yl)-N-(3-methoxyphenyl)acetamide

7399-0565 Screening compound: 2-(1-benzoyl-3-oxo-decahydroquinoxalin-2-yl)-N-(3-methoxyphenyl)acetamide
7399-0565 Screening compound: 2-(1-benzoyl-3-oxo-decahydroquinoxalin-2-yl)-N-(3-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7399-0565
2-(1-benzoyl-3-oxo-decahydroquinoxalin-2-yl)-N-(3-methoxyphenyl)acetamide

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

7399-0565

Molecular Formula

C24H27N3O4 (C24 H27 N3 O4)

Compound Name

2-(1-benzoyl-3-oxo-decahydroquinoxalin-2-yl)-N-(3-methoxyphenyl)acetamide

IUPAC name

2-(1-benzoyl-3-oxo-decahydroquinoxalin-2-yl)-N-(3-methoxyphenyl)acetamide

SMILES

COc1cccc(NC(CC(C(NC2C3CCCC2)=O)N3C(c2ccccc2)=O)=O)c1

InChI

InChI=1S/C24H27N3O4/c1-31-18-11-7-10-17(14-18)25-22(28)15-21-23(29)26-19-12-5-6-13-20(19)27(21)24(30)16-8-3-2-4-9-16/h2-4,7-11,14,19-21H,5-6,12-13,15H2,1H3,(H,25,28)(H,26,29)

InChI Key

SUQHCFLWQQPERJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05839761

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.482

Distribution Coefficient, logD

2.482

Water Solubility, LogSw

-2.99

Polar Surface Area

71.209

Acid Dissociation Constant (pKa)

11.20

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

37.50

7399-0565 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

GPCR Targeted Library (31838 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 7399-0565 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7399-0565?
Check Price and Availability of 7399-0565, 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 7399-0565 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7399-0565
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7399-0565
  • 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 7399-0565 available by request