C387-0196 Screening compound: N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-2-[(4-methoxyphenyl)amino]quinoline-4-carboxamide

C387-0196 Screening compound: N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-2-[(4-methoxyphenyl)amino]quinoline-4-carboxamide
C387-0196 Screening compound: N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-2-[(4-methoxyphenyl)amino]quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C387-0196
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-2-[(4-methoxyphenyl)amino]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

C387-0196

Molecular Formula

C29H30ClN5O2 (C29 H30 ClN5 O2)

Compound Name

N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-2-[(4-methoxyphenyl)amino]quinoline-4-carboxamide

IUPAC name

N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-2-[(4-methoxyphenyl)amino]quinoline-4-carboxamide

SMILES

COc(cc1)ccc1Nc1nc2ccccc2c(C(NCCN(CC2)CCN2c2cccc(Cl)c2)=O)c1

InChI

InChI=1S/C29H30ClN5O2/c1-37-24-11-9-22(10-12-24)32-28-20-26(25-7-2-3-8-27(25)33-28)29(36)31-13-14-34-15-17-35(18-16-34)23-6-4-5-21(30)19-23/h2-12,19-20H,13-18H2,1H3,(H,31,36)(H,32,33)

InChI Key

CYGZWPKUUKLWSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14755320

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.04

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.732

Distribution Coefficient, logD

5.708

Water Solubility, LogSw

-5.96

Polar Surface Area

57.090

Acid Dissociation Constant (pKa)

14.35

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

C387-0196 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with C387-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C387-0196?
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What is the minimum amount of C387-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C387-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C387-0196
  • 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 C387-0196 available by request