L380-0106 Screening compound: N-(1-benzylpiperidin-4-yl)-2-methyl-8-(thiophen-2-yl)quinoline-4-carboxamide

L380-0106 Screening compound: N-(1-benzylpiperidin-4-yl)-2-methyl-8-(thiophen-2-yl)quinoline-4-carboxamide
L380-0106 Screening compound: N-(1-benzylpiperidin-4-yl)-2-methyl-8-(thiophen-2-yl)quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L380-0106
N-(1-benzylpiperidin-4-yl)-2-methyl-8-(thiophen-2-yl)quinoline-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

L380-0106

Molecular Formula

C27H27N3OS (C27 H27 N3 OS)

Compound Name

N-(1-benzylpiperidin-4-yl)-2-methyl-8-(thiophen-2-yl)quinoline-4-carboxamide

IUPAC name

N-(1-benzylpiperidin-4-yl)-2-methyl-8-(thiophen-2-yl)quinoline-4-carboxamide

SMILES

Cc1cc(C(NC2CCN(Cc3ccccc3)CC2)=O)c(cccc2-c3cccs3)c2n1

InChI

InChI=1S/C27H27N3OS/c1-19-17-24(22-9-5-10-23(26(22)28-19)25-11-6-16-32-25)27(31)29-21-12-14-30(15-13-21)18-20-7-3-2-4-8-20/h2-11,16-17,21H,12-15,18H2,1H3,(H,29,31)

InChI Key

CRHRFWVVWCEEKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15125901

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.209

Distribution Coefficient, logD

3.764

Water Solubility, LogSw

-5.21

Polar Surface Area

37.572

Acid Dissociation Constant (pKa)

16.07

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

L380-0106 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L380-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L380-0106?
Check Price and Availability of L380-0106, 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 L380-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L380-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L380-0106
  • 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 L380-0106 available by request