8019-6159 Screening compound: 5-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methyl]-8-quinolinol

8019-6159 Screening compound: 5-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methyl]-8-quinolinol
8019-6159 Screening compound: 5-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methyl]-8-quinolinol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-6159
5-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)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

8019-6159

Molecular Formula

C18H16N2O3 (C18 H16 N2 O3)

Compound Name

5-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methyl]-8-quinolinol

IUPAC name

5-{[(23-dihydro-14-benzodioxin-6-yl)amino]methyl}quinolin-8-ol

SMILES

Oc1ccc(CNc(cc2)cc3c2OCCO3)c2cccnc12

InChI

InChI=1S/C18H16N2O3/c21-15-5-3-12(14-2-1-7-19-18(14)15)11-20-13-4-6-16-17(10-13)23-9-8-22-16/h1-7,10,20-21H,8-9,11H2

InChI Key

NHORPJRJPKCIQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10038555

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.228

Distribution Coefficient, logD

2.219

Water Solubility, LogSw

-2.46

Polar Surface Area

52.377

Acid Dissociation Constant (pKa)

9.25

Base Dissociation Constant (pKb)

5.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

8019-6159 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8019-6159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-6159?
Check Price and Availability of 8019-6159, 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 8019-6159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-6159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-6159
  • 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 8019-6159 available by request