L815-0563 Screening compound: 3-(4-methylbenzenesulfonyl)-N-[2-oxo-1-phenyl-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]propanamide

L815-0563 Screening compound: 3-(4-methylbenzenesulfonyl)-N-[2-oxo-1-phenyl-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]propanamide
L815-0563 Screening compound: 3-(4-methylbenzenesulfonyl)-N-[2-oxo-1-phenyl-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L815-0563
3-(4-methylbenzenesulfonyl)-N-[2-oxo-1-phenyl-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]propanamide

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

L815-0563

Molecular Formula

C27H28N2O4S (C27 H28 N2 O4 S)

Compound Name

3-(4-methylbenzenesulfonyl)-N-[2-oxo-1-phenyl-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]propanamide

IUPAC name

3-(4-methylbenzenesulfonyl)-N-[2-oxo-1-phenyl-2-(1234-tetrahydroquinolin-1-yl)ethyl]propanamide

SMILES

Cc(cc1)ccc1S(CCC(NC(C(N(CCC1)c2c1cccc2)=O)c1ccccc1)=O)(=O)=O

InChI

InChI=1S/C27H28N2O4S/c1-20-13-15-23(16-14-20)34(32,33)19-17-25(30)28-26(22-9-3-2-4-10-22)27(31)29-18-7-11-21-8-5-6-12-24(21)29/h2-6,8-10,12-16,26H,7,11,17-19H2,1H3,(H,28,30)/t26-/m1/s1

InChI Key

PFFJXVYZNAKYCT-AREMUKBSSA-N

MDL Number (MFCD)

MFCD27477196

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.679

Distribution Coefficient, logD

3.676

Water Solubility, LogSw

-3.96

Polar Surface Area

68.140

Acid Dissociation Constant (pKa)

9.61

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

L815-0563 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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with L815-0563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L815-0563?
Check Price and Availability of L815-0563, 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 L815-0563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L815-0563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L815-0563
  • 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 L815-0563 available by request