C066-2323 Screening compound: 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]-4-oxobutanamide

C066-2323 Screening compound: 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]-4-oxobutanamide
C066-2323 Screening compound: 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-2323
4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]-4-oxobutanamide

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

C066-2323

Molecular Formula

C31H39N5O2 (C31 H39 N5 O2)

Compound Name

4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]-4-oxobutanamide

IUPAC name

4-[4-(25-dimethylphenyl)piperazin-1-yl]-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]-4-oxobutanamide

SMILES

Cc1cc(N(CC2)CCN2C(CCC(Nc2cc3c(C)cc(N4CCCCC4)nc3cc2)=O)=O)c(C)cc1

InChI

InChI=1S/C31H39N5O2/c1-22-7-8-23(2)28(19-22)34-15-17-36(18-16-34)31(38)12-11-30(37)32-25-9-10-27-26(21-25)24(3)20-29(33-27)35-13-5-4-6-14-35/h7-10,19-21H,4-6,11-18H2,1-3H3,(H,32,37)

InChI Key

FCGBMZLQONWIAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715291

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.68

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.873

Distribution Coefficient, logD

5.873

Water Solubility, LogSw

-5.42

Polar Surface Area

53.715

Acid Dissociation Constant (pKa)

11.10

Base Dissociation Constant (pKb)

4.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.20

C066-2323 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C066-2323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-2323?
Check Price and Availability of C066-2323, 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 C066-2323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-2323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-2323
  • 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 C066-2323 available by request