L339-0212 Screening compound: 1-(6-acetamido-4-methylquinolin-2-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide

L339-0212 Screening compound: 1-(6-acetamido-4-methylquinolin-2-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide
L339-0212 Screening compound: 1-(6-acetamido-4-methylquinolin-2-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L339-0212
1-(6-acetamido-4-methylquinolin-2-yl)-N-(3,4,5-trimethoxyphenyl)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

L339-0212

Molecular Formula

C27H32N4O5 (C27 H32 N4 O5)

Compound Name

1-(6-acetamido-4-methylquinolin-2-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide

IUPAC name

1-(6-acetamido-4-methylquinolin-2-yl)-N-(345-trimethoxyphenyl)piperidine-4-carboxamide

SMILES

CC(Nc(cc1c(C)c2)ccc1nc2N(CC1)CCC1C(Nc(cc1OC)cc(OC)c1OC)=O)=O

InChI

InChI=1S/C27H32N4O5/c1-16-12-25(30-22-7-6-19(13-21(16)22)28-17(2)32)31-10-8-18(9-11-31)27(33)29-20-14-23(34-3)26(36-5)24(15-20)35-4/h6-7,12-15,18H,8-11H2,1-5H3,(H,28,32)(H,29,33)

InChI Key

RZCLSAYKAWBNOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15124653

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.555

Distribution Coefficient, logD

3.553

Water Solubility, LogSw

-3.57

Polar Surface Area

80.816

Acid Dissociation Constant (pKa)

9.79

Base Dissociation Constant (pKb)

4.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

L339-0212 in Drug Discovery

Included in Screening Libraries

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

Macl-GPIb alpha Interaction Library (22969 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L339-0212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L339-0212?
Check Price and Availability of L339-0212, 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 L339-0212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L339-0212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L339-0212
  • 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 L339-0212 available by request