L339-0198 Screening compound: 1-(6-acetamido-4-methylquinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide

L339-0198 Screening compound: 1-(6-acetamido-4-methylquinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
L339-0198 Screening compound: 1-(6-acetamido-4-methylquinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L339-0198
1-(6-acetamido-4-methylquinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]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

L339-0198

Molecular Formula

C25H25F3N4O2 (C25 H25 F3 N4 O2)

Compound Name

1-(6-acetamido-4-methylquinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide

IUPAC name

1-(6-acetamido-4-methylquinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide

SMILES

CC(Nc(cc1c(C)c2)ccc1nc2N(CC1)CCC1C(Nc1cccc(C(F)(F)F)c1)=O)=O

InChI

InChI=1S/C25H25F3N4O2/c1-15-12-23(31-22-7-6-20(14-21(15)22)29-16(2)33)32-10-8-17(9-11-32)24(34)30-19-5-3-4-18(13-19)25(26,27)28/h3-7,12-14,17H,8-11H2,1-2H3,(H,29,33)(H,30,34)

InChI Key

RGPKKEHQARWBLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15124652

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.218

Distribution Coefficient, logD

5.215

Water Solubility, LogSw

-5.25

Polar Surface Area

57.838

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

4.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

L339-0198 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Agro:
  • Agro

References: we are preparing a list of scientific research reports with L339-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L339-0198?
Check Price and Availability of L339-0198, 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 L339-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L339-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L339-0198
  • 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 L339-0198 available by request