L815-0043 Screening compound: 4-[(benzenesulfonyl)methyl]-N-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]benzamide

L815-0043 Screening compound: 4-[(benzenesulfonyl)methyl]-N-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]benzamide
L815-0043 Screening compound: 4-[(benzenesulfonyl)methyl]-N-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L815-0043
4-[(benzenesulfonyl)methyl]-N-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]benzamide

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

L815-0043

Molecular Formula

C25H24N2O4S (C25 H24 N2 O4 S)

Compound Name

4-[(benzenesulfonyl)methyl]-N-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]benzamide

IUPAC name

4-[(benzenesulfonyl)methyl]-N-[2-oxo-2-(1234-tetrahydroquinolin-1-yl)ethyl]benzamide

SMILES

O=C(CNC(c1ccc(CS(c2ccccc2)(=O)=O)cc1)=O)N(CCC1)c2c1cccc2

InChI

InChI=1S/C25H24N2O4S/c28-24(27-16-6-8-20-7-4-5-11-23(20)27)17-26-25(29)21-14-12-19(13-15-21)18-32(30,31)22-9-2-1-3-10-22/h1-5,7,9-15H,6,8,16-18H2,(H,26,29)

InChI Key

SNEHNDCXOWFUJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27477096

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.891

Distribution Coefficient, logD

2.891

Water Solubility, LogSw

-3.69

Polar Surface Area

68.473

Acid Dissociation Constant (pKa)

11.09

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

L815-0043 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with L815-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L815-0043?
Check Price and Availability of L815-0043, 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 L815-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L815-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L815-0043
  • 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 L815-0043 available by request