8563-0478 Screening compound: N2-(2-methoxyphenyl)-6-[(quinolin-8-yloxy)methyl]-1,3,5-triazine-2,4-diamine

8563-0478 Screening compound: N2-(2-methoxyphenyl)-6-[(quinolin-8-yloxy)methyl]-1,3,5-triazine-2,4-diamine
8563-0478 Screening compound: N2-(2-methoxyphenyl)-6-[(quinolin-8-yloxy)methyl]-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8563-0478
N2-(2-methoxyphenyl)-6-[(quinolin-8-yloxy)methyl]-1,3,5-triazine-2,4-diamine

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

8563-0478

Molecular Formula

C20H18N6O2 (C20 H18 N6 O2)

Compound Name

N2-(2-methoxyphenyl)-6-[(quinolin-8-yloxy)methyl]-1,3,5-triazine-2,4-diamine

IUPAC name

N2-(2-methoxyphenyl)-6-[(quinolin-8-yloxy)methyl]-135-triazine-24-diamine

SMILES

COc(cccc1)c1Nc1nc(N)nc(COc2cccc3cccnc23)n1

InChI

InChI=1S/C20H18N6O2/c1-27-15-9-3-2-8-14(15)23-20-25-17(24-19(21)26-20)12-28-16-10-4-6-13-7-5-11-22-18(13)16/h2-11H,12H2,1H3,(H3,21,23,24,25,26)

InChI Key

IGDQFSCOJWAYTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08088329

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.433

Distribution Coefficient, logD

3.426

Water Solubility, LogSw

-3.34

Polar Surface Area

85.388

Acid Dissociation Constant (pKa)

16.20

Base Dissociation Constant (pKb)

5.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

8563-0478 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antifungal Library (16415 compounds)

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Agro:
  • Agro
Targets:
  • Proteases
  • Kinases

References: we are preparing a list of scientific research reports with 8563-0478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8563-0478?
Check Price and Availability of 8563-0478, 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 8563-0478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8563-0478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8563-0478
  • 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 8563-0478 available by request