C227-0166 Screening compound: N'-[2-(4-chlorophenyl)ethyl]-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]butanediamide

C227-0166 Screening compound: N'-[2-(4-chlorophenyl)ethyl]-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]butanediamide
C227-0166 Screening compound: N'-[2-(4-chlorophenyl)ethyl]-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]butanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C227-0166
N'-[2-(4-chlorophenyl)ethyl]-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]butanediamide

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

C227-0166

Molecular Formula

C27H31ClN4O2 (C27 H31 ClN4 O2)

Compound Name

N'-[2-(4-chlorophenyl)ethyl]-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]butanediamide

IUPAC name

N'-[2-(4-chlorophenyl)ethyl]-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]butanediamide

SMILES

Cc1c(cc(cc2)NC(CCC(NCCc(cc3)ccc3Cl)=O)=O)c2nc(N2CCCCC2)c1

InChI

InChI=1S/C27H31ClN4O2/c1-19-17-25(32-15-3-2-4-16-32)31-24-10-9-22(18-23(19)24)30-27(34)12-11-26(33)29-14-13-20-5-7-21(28)8-6-20/h5-10,17-18H,2-4,11-16H2,1H3,(H,29,33)(H,30,34)

InChI Key

SZHZVZBTWYQAGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14733575

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.02

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.857

Distribution Coefficient, logD

4.856

Water Solubility, LogSw

-4.70

Polar Surface Area

58.676

Acid Dissociation Constant (pKa)

11.10

Base Dissociation Constant (pKb)

4.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.04

C227-0166 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C227-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C227-0166?
Check Price and Availability of C227-0166, 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 C227-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C227-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C227-0166
  • 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 C227-0166 available by request