3453-1312 Screening compound: 8-chloro-2-methyl-3-(piperidinomethyl)-4-quinolinol

3453-1312 Screening compound: 8-chloro-2-methyl-3-(piperidinomethyl)-4-quinolinol
3453-1312 Screening compound: 8-chloro-2-methyl-3-(piperidinomethyl)-4-quinolinol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3453-1312
8-chloro-2-methyl-3-(piperidinomethyl)-4-quinolinol

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

3453-1312

Molecular Formula

C16H19ClN2O (C16 H19 ClN2 O)

Compound Name

8-chloro-2-methyl-3-(piperidinomethyl)-4-quinolinol

IUPAC name

8-chloro-2-methyl-3-[(piperidin-1-yl)methyl]quinolin-4-ol

SMILES

Cc1c(CN2CCCCC2)c(O)c(cccc2Cl)c2n1

InChI

InChI=1S/C16H19ClN2O/c1-11-13(10-19-8-3-2-4-9-19)16(20)12-6-5-7-14(17)15(12)18-11/h5-7H,2-4,8-10H2,1H3,(H,18,20)

InChI Key

GSJMLMQMOQLUHT-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.79

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.661

Distribution Coefficient, logD

3.288

Water Solubility, LogSw

-3.48

Polar Surface Area

29.128

Acid Dissociation Constant (pKa)

9.43

Base Dissociation Constant (pKb)

7.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.75

3453-1312 in Drug Discovery

Included in Screening Libraries

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3453-1312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3453-1312?
Check Price and Availability of 3453-1312, 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 3453-1312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3453-1312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3453-1312
  • 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 3453-1312 available by request