3453-1316 Screening compound: 8-chloro-2-methyl-3-[(2-methylpiperidin-1-yl)methyl]quinolin-4-ol

3453-1316 Screening compound: 8-chloro-2-methyl-3-[(2-methylpiperidin-1-yl)methyl]quinolin-4-ol
3453-1316 Screening compound: 8-chloro-2-methyl-3-[(2-methylpiperidin-1-yl)methyl]quinolin-4-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3453-1316
8-chloro-2-methyl-3-[(2-methylpiperidin-1-yl)methyl]quinolin-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

3453-1316

Molecular Formula

C17H21ClN2O (C17 H21 ClN2 O)

Compound Name

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

IUPAC name

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

SMILES

CC1N(Cc2c(C)nc3c(Cl)cccc3c2O)CCCC1

InChI

InChI=1S/C17H21ClN2O/c1-11-6-3-4-9-20(11)10-14-12(2)19-16-13(17(14)21)7-5-8-15(16)18/h5,7-8,11H,3-4,6,9-10H2,1-2H3,(H,19,21)/t11-/m0/s1

InChI Key

HHZMRPYWQIYNQQ-NSHDSACASA-N

MDL Number (MFCD)

MFCD02332328

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.82

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

3.887

Distribution Coefficient, logD

3.352

Water Solubility, LogSw

-3.71

Polar Surface Area

28.579

Acid Dissociation Constant (pKa)

9.43

Base Dissociation Constant (pKb)

7.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.10

3453-1316 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 3453-1316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3453-1316?
Check Price and Availability of 3453-1316, 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 3453-1316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3453-1316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3453-1316
  • 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 3453-1316 available by request