C066-2298 Screening compound: N'-[2-(4-benzylpiperazin-1-yl)ethyl]-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]butanediamide

C066-2298 Screening compound: N'-[2-(4-benzylpiperazin-1-yl)ethyl]-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]butanediamide
C066-2298 Screening compound: N'-[2-(4-benzylpiperazin-1-yl)ethyl]-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]butanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-2298
N'-[2-(4-benzylpiperazin-1-yl)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

C066-2298

Molecular Formula

C32H42N6O2 (C32 H42 N6 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(cc(cc2)NC(CCC(NCCN3CCN(Cc4ccccc4)CC3)=O)=O)c2nc(N2CCCCC2)c1

InChI

InChI=1S/C32H42N6O2/c1-25-22-30(38-15-6-3-7-16-38)35-29-11-10-27(23-28(25)29)34-32(40)13-12-31(39)33-14-17-36-18-20-37(21-19-36)24-26-8-4-2-5-9-26/h2,4-5,8-11,22-23H,3,6-7,12-21,24H2,1H3,(H,33,39)(H,34,40)

InChI Key

UXWFJTSFGDIKGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.72

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.812

Distribution Coefficient, logD

3.595

Water Solubility, LogSw

-3.92

Polar Surface Area

66.199

Acid Dissociation Constant (pKa)

11.10

Base Dissociation Constant (pKb)

7.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.90

C066-2298 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with C066-2298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-2298?
Check Price and Availability of C066-2298, 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 C066-2298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-2298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-2298
  • 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 C066-2298 available by request