F353-0830 Screening compound: 1-benzyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-methyl-2-oxo-1,2-dihydroquinoxaline-6-carboxamide

F353-0830 Screening compound: 1-benzyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-methyl-2-oxo-1,2-dihydroquinoxaline-6-carboxamide
F353-0830 Screening compound: 1-benzyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-methyl-2-oxo-1,2-dihydroquinoxaline-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F353-0830
1-benzyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-methyl-2-oxo-1,2-dihydroquinoxaline-6-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

F353-0830

Molecular Formula

C27H27N3O4 (C27 H27 N3 O4)

Compound Name

1-benzyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-methyl-2-oxo-1,2-dihydroquinoxaline-6-carboxamide

IUPAC name

1-benzyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-methyl-2-oxo-12-dihydroquinoxaline-6-carboxamide

SMILES

CCOc(cc(CNC(c(cc1)cc(N=C2C)c1N(Cc1ccccc1)C2=O)=O)cc1)c1OC

InChI

InChI=1S/C27H27N3O4/c1-4-34-25-14-20(10-13-24(25)33-3)16-28-26(31)21-11-12-23-22(15-21)29-18(2)27(32)30(23)17-19-8-6-5-7-9-19/h5-15H,4,16-17H2,1-3H3,(H,28,31)

InChI Key

LAUSFITZQRUZRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27118410

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.358

Distribution Coefficient, logD

3.358

Water Solubility, LogSw

-3.63

Polar Surface Area

61.877

Acid Dissociation Constant (pKa)

12.87

Base Dissociation Constant (pKb)

0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

F353-0830 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F353-0830 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F353-0830?
Check Price and Availability of F353-0830, 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 F353-0830 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F353-0830
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F353-0830
  • 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 F353-0830 available by request