C066-2827 Screening compound: (E)-{[7-methoxy-2-(piperidin-1-yl)quinolin-3-yl]methylidene}[(4-methylphenyl)methyl]amine

C066-2827 Screening compound: (E)-{[7-methoxy-2-(piperidin-1-yl)quinolin-3-yl]methylidene}[(4-methylphenyl)methyl]amine
C066-2827 Screening compound: (E)-{[7-methoxy-2-(piperidin-1-yl)quinolin-3-yl]methylidene}[(4-methylphenyl)methyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-2827
(E)-{[7-methoxy-2-(piperidin-1-yl)quinolin-3-yl]methylidene}[(4-methylphenyl)methyl]amine

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

C066-2827

Molecular Formula

C24H27N3O (C24 H27 N3 O)

Compound Name

(E)-{[7-methoxy-2-(piperidin-1-yl)quinolin-3-yl]methylidene}[(4-methylphenyl)methyl]amine

IUPAC name

(E)-{[7-methoxy-2-(piperidin-1-yl)quinolin-3-yl]methylidene}[(4-methylphenyl)methyl]amine

SMILES

Cc1ccc(C/N=C/c2c(N3CCCCC3)nc(cc(cc3)OC)c3c2)cc1

InChI

InChI=1S/C24H27N3O/c1-18-6-8-19(9-7-18)16-25-17-21-14-20-10-11-22(28-2)15-23(20)26-24(21)27-12-4-3-5-13-27/h6-11,14-15,17H,3-5,12-13,16H2,1-2H3

InChI Key

VIJKWRUWTSXRDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.013

Distribution Coefficient, logD

6.010

Water Solubility, LogSw

-5.77

Polar Surface Area

28.160

Acid Dissociation Constant (pKa)

23.81

Base Dissociation Constant (pKb)

5.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C066-2827 in Drug Discovery

Included in Screening Libraries

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

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with C066-2827 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-2827?
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What is the minimum amount of C066-2827 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-2827
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-2827
  • 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 C066-2827 available by request