8016-4440 Screening compound: 5-[(3-methoxyanilino)methyl]-8-quinolinol

8016-4440 Screening compound: 5-[(3-methoxyanilino)methyl]-8-quinolinol
8016-4440 Screening compound: 5-[(3-methoxyanilino)methyl]-8-quinolinol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-4440
5-[(3-methoxyanilino)methyl]-8-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

8016-4440

Molecular Formula

C17H16N2O2 (C17 H16 N2 O2)

Compound Name

5-[(3-methoxyanilino)methyl]-8-quinolinol

IUPAC name

5-{[(3-methoxyphenyl)amino]methyl}quinolin-8-ol

SMILES

COc1cc(NCc(c2cccnc22)ccc2O)ccc1

InChI

InChI=1S/C17H16N2O2/c1-21-14-5-2-4-13(10-14)19-11-12-7-8-16(20)17-15(12)6-3-9-18-17/h2-10,19-20H,11H2,1H3

InChI Key

NDKRMYWVOKLVQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05239772

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.322

Distribution Coefficient, logD

3.312

Water Solubility, LogSw

-3.03

Polar Surface Area

44.098

Acid Dissociation Constant (pKa)

9.25

Base Dissociation Constant (pKb)

5.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.76

8016-4440 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Targets:
  • Proteases
  • Ion Channels

References: we are preparing a list of scientific research reports with 8016-4440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-4440?
Check Price and Availability of 8016-4440, 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 8016-4440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-4440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-4440
  • 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 8016-4440 available by request