5596-0748 Screening compound: 6-methyl-3-[(2-methylpiperidin-1-yl)methyl]-2-phenylquinolin-4-ol

5596-0748 Screening compound: 6-methyl-3-[(2-methylpiperidin-1-yl)methyl]-2-phenylquinolin-4-ol
5596-0748 Screening compound: 6-methyl-3-[(2-methylpiperidin-1-yl)methyl]-2-phenylquinolin-4-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5596-0748
6-methyl-3-[(2-methylpiperidin-1-yl)methyl]-2-phenylquinolin-4-ol

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

5596-0748

Molecular Formula

C23H26N2O (C23 H26 N2 O)

Compound Name

6-methyl-3-[(2-methylpiperidin-1-yl)methyl]-2-phenylquinolin-4-ol

IUPAC name

6-methyl-3-[(2-methylpiperidin-1-yl)methyl]-2-phenylquinolin-4-ol

SMILES

CC1N(Cc(c(-c2ccccc2)nc2ccc(C)cc22)c2O)CCCC1

InChI

InChI=1S/C23H26N2O/c1-16-11-12-21-19(14-16)23(26)20(15-25-13-7-6-8-17(25)2)22(24-21)18-9-4-3-5-10-18/h3-5,9-12,14,17H,6-8,13,15H2,1-2H3,(H,24,26)/t17-/m0/s1

InChI Key

SKWXTJAZIJGIST-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD02363559

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.204

Distribution Coefficient, logD

5.138

Water Solubility, LogSw

-5.11

Polar Surface Area

27.730

Acid Dissociation Constant (pKa)

10.23

Base Dissociation Constant (pKb)

6.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

5596-0748 in Drug Discovery

Included in Screening Libraries

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

Ion Channels Focused Library (26372 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 5596-0748 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5596-0748?
Check Price and Availability of 5596-0748, 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 5596-0748 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5596-0748
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5596-0748
  • 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 5596-0748 available by request