F353-0819 Screening compound: N-[2-(azepan-1-yl)ethyl]-1-benzyl-3-methyl-2-oxo-1,2-dihydroquinoxaline-6-carboxamide

F353-0819 Screening compound: N-[2-(azepan-1-yl)ethyl]-1-benzyl-3-methyl-2-oxo-1,2-dihydroquinoxaline-6-carboxamide
F353-0819 Screening compound: N-[2-(azepan-1-yl)ethyl]-1-benzyl-3-methyl-2-oxo-1,2-dihydroquinoxaline-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F353-0819
N-[2-(azepan-1-yl)ethyl]-1-benzyl-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

F353-0819

Molecular Formula

C25H30N4O2 (C25 H30 N4 O2)

Compound Name

N-[2-(azepan-1-yl)ethyl]-1-benzyl-3-methyl-2-oxo-1,2-dihydroquinoxaline-6-carboxamide

IUPAC name

N-[2-(azepan-1-yl)ethyl]-1-benzyl-3-methyl-2-oxo-12-dihydroquinoxaline-6-carboxamide

SMILES

CC1=Nc(cc(cc2)C(NCCN3CCCCCC3)=O)c2N(Cc2ccccc2)C1=O

InChI

InChI=1S/C25H30N4O2/c1-19-25(31)29(18-20-9-5-4-6-10-20)23-12-11-21(17-22(23)27-19)24(30)26-13-16-28-14-7-2-3-8-15-28/h4-6,9-12,17H,2-3,7-8,13-16,18H2,1H3,(H,26,30)

InChI Key

RGDSZQRJHHYBIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27118400

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.273

Distribution Coefficient, logD

2.296

Water Solubility, LogSw

-3.44

Polar Surface Area

51.191

Acid Dissociation Constant (pKa)

12.15

Base Dissociation Constant (pKb)

8.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

F353-0819 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F353-0819 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F353-0819?
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What is the minimum amount of F353-0819 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F353-0819
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F353-0819
  • 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 F353-0819 available by request