L815-0012 Screening compound: 1-(4-chlorobenzenesulfonyl)-N-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]piperidine-4-carboxamide

L815-0012 Screening compound: 1-(4-chlorobenzenesulfonyl)-N-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]piperidine-4-carboxamide
L815-0012 Screening compound: 1-(4-chlorobenzenesulfonyl)-N-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L815-0012
1-(4-chlorobenzenesulfonyl)-N-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]piperidine-4-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

L815-0012

Molecular Formula

C23H26ClN3O4S (C23 H26 ClN3 O4 S)

Compound Name

1-(4-chlorobenzenesulfonyl)-N-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]piperidine-4-carboxamide

IUPAC name

1-(4-chlorobenzenesulfonyl)-N-[2-oxo-2-(1234-tetrahydroquinolin-1-yl)ethyl]piperidine-4-carboxamide

SMILES

O=C(CNC(C(CC1)CCN1S(c(cc1)ccc1Cl)(=O)=O)=O)N(CCC1)c2c1cccc2

InChI

InChI=1S/C23H26ClN3O4S/c24-19-7-9-20(10-8-19)32(30,31)26-14-11-18(12-15-26)23(29)25-16-22(28)27-13-3-5-17-4-1-2-6-21(17)27/h1-2,4,6-10,18H,3,5,11-16H2,(H,25,29)

InChI Key

AVLCMAPZBSCTFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27477076

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.066

Distribution Coefficient, logD

3.066

Water Solubility, LogSw

-3.60

Polar Surface Area

71.420

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

L815-0012 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L815-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L815-0012?
Check Price and Availability of L815-0012, 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 L815-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L815-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L815-0012
  • 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 L815-0012 available by request