C066-2292 Screening compound: N'-[(4-ethoxyphenyl)methyl]-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]butanediamide

C066-2292 Screening compound: N'-[(4-ethoxyphenyl)methyl]-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]butanediamide
C066-2292 Screening compound: N'-[(4-ethoxyphenyl)methyl]-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]butanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-2292
N'-[(4-ethoxyphenyl)methyl]-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

C066-2292

Molecular Formula

C28H34N4O3 (C28 H34 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOc1ccc(CNC(CCC(Nc2cc3c(C)cc(N4CCCCC4)nc3cc2)=O)=O)cc1

InChI

InChI=1S/C28H34N4O3/c1-3-35-23-10-7-21(8-11-23)19-29-27(33)13-14-28(34)30-22-9-12-25-24(18-22)20(2)17-26(31-25)32-15-5-4-6-16-32/h7-12,17-18H,3-6,13-16,19H2,1-2H3,(H,29,33)(H,30,34)

InChI Key

MUQUSVFADOWOCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715273

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.856

Distribution Coefficient, logD

4.856

Water Solubility, LogSw

-4.53

Polar Surface Area

65.958

Acid Dissociation Constant (pKa)

11.10

Base Dissociation Constant (pKb)

4.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

C066-2292 in Drug Discovery

Included in Screening Libraries

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

Lipid Metabolism Library (9174 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C066-2292 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-2292?
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What is the minimum amount of C066-2292 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-2292
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-2292
  • 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 C066-2292 available by request