C066-2176 Screening compound: N'-[2-(2-chlorophenyl)ethyl]-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]butanediamide

C066-2176 Screening compound: N'-[2-(2-chlorophenyl)ethyl]-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]butanediamide
C066-2176 Screening compound: N'-[2-(2-chlorophenyl)ethyl]-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]butanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-2176
N'-[2-(2-chlorophenyl)ethyl]-N-[4-methyl-2-(4-methylpiperidin-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

C066-2176

Molecular Formula

C28H33ClN4O2 (C28 H33 ClN4 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(CC1)CCN1c1cc(C)c(cc(cc2)NC(CCC(NCCc(cccc3)c3Cl)=O)=O)c2n1

InChI

InChI=1S/C28H33ClN4O2/c1-19-12-15-33(16-13-19)26-17-20(2)23-18-22(7-8-25(23)32-26)31-28(35)10-9-27(34)30-14-11-21-5-3-4-6-24(21)29/h3-8,17-19H,9-16H2,1-2H3,(H,30,34)(H,31,35)

InChI Key

HYIASEDEZMRESH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715211

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.05

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

5.429

Distribution Coefficient, logD

5.429

Water Solubility, LogSw

-5.87

Polar Surface Area

58.676

Acid Dissociation Constant (pKa)

11.10

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

C066-2176 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C066-2176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-2176?
Check Price and Availability of C066-2176, 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 C066-2176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-2176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-2176
  • 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 C066-2176 available by request