L815-0189 Screening compound: 1-(4-cyanobenzenesulfonyl)-N-[1-oxo-1-(1,2,3,4-tetrahydroquinolin-1-yl)propan-2-yl]piperidine-4-carboxamide

L815-0189 Screening compound: 1-(4-cyanobenzenesulfonyl)-N-[1-oxo-1-(1,2,3,4-tetrahydroquinolin-1-yl)propan-2-yl]piperidine-4-carboxamide
L815-0189 Screening compound: 1-(4-cyanobenzenesulfonyl)-N-[1-oxo-1-(1,2,3,4-tetrahydroquinolin-1-yl)propan-2-yl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L815-0189
1-(4-cyanobenzenesulfonyl)-N-[1-oxo-1-(1,2,3,4-tetrahydroquinolin-1-yl)propan-2-yl]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

L815-0189

Molecular Formula

C25H28N4O4S (C25 H28 N4 O4 S)

Compound Name

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

IUPAC name

1-(4-cyanobenzenesulfonyl)-N-[1-oxo-1-(1234-tetrahydroquinolin-1-yl)propan-2-yl]piperidine-4-carboxamide

SMILES

CC(C(N(CCC1)c2c1cccc2)=O)NC(C(CC1)CCN1S(c(cc1)ccc1C#N)(=O)=O)=O

InChI

InChI=1S/C25H28N4O4S/c1-18(25(31)29-14-4-6-20-5-2-3-7-23(20)29)27-24(30)21-12-15-28(16-13-21)34(32,33)22-10-8-19(17-26)9-11-22/h2-3,5,7-11,18,21H,4,6,12-16H2,1H3,(H,27,30)/t18-/m0/s1

InChI Key

YNIGKYWCRQLGFV-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27477154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.322

Distribution Coefficient, logD

2.322

Water Solubility, LogSw

-2.72

Polar Surface Area

88.167

Acid Dissociation Constant (pKa)

12.03

Base Dissociation Constant (pKb)

1.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

L815-0189 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)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L815-0189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L815-0189?
Check Price and Availability of L815-0189, 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 L815-0189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L815-0189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L815-0189
  • 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 L815-0189 available by request