3453-1285 Screening compound: 3-{[butyl(methyl)amino]methyl}-2-methylquinolin-4-ol

3453-1285 Screening compound: 3-{[butyl(methyl)amino]methyl}-2-methylquinolin-4-ol
3453-1285 Screening compound: 3-{[butyl(methyl)amino]methyl}-2-methylquinolin-4-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3453-1285
3-{[butyl(methyl)amino]methyl}-2-methylquinolin-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

3453-1285

Molecular Formula

C16H22N2O (C16 H22 N2 O)

Compound Name

3-{[butyl(methyl)amino]methyl}-2-methylquinolin-4-ol

IUPAC name

3-{[butyl(methyl)amino]methyl}-2-methylquinolin-4-ol

SMILES

CCCCN(C)Cc(c(C)nc1ccccc11)c1O

InChI

InChI=1S/C16H22N2O/c1-4-5-10-18(3)11-14-12(2)17-15-9-7-6-8-13(15)16(14)19/h6-9H,4-5,10-11H2,1-3H3,(H,17,19)

InChI Key

AFBZANDQPMWVRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02166801

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

258.36

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.495

Distribution Coefficient, logD

3.155

Water Solubility, LogSw

-3.44

Polar Surface Area

28.719

Acid Dissociation Constant (pKa)

9.95

Base Dissociation Constant (pKb)

7.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

3453-1285 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Selective Target Activity Profiling Library (14702 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 3453-1285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3453-1285?
Check Price and Availability of 3453-1285, 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 3453-1285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3453-1285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3453-1285
  • 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 3453-1285 available by request