J084-0816 Screening compound: ethyl 2-{[5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetate

J084-0816 Screening compound: ethyl 2-{[5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetate
J084-0816 Screening compound: ethyl 2-{[5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound J084-0816
ethyl 2-{[5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetate

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

J084-0816

Molecular Formula

C20H18N4O2S (C20 H18 N4 O2 S)

Compound Name

ethyl 2-{[5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetate

IUPAC name

ethyl 2-{[5-(4-methylphenyl)-[124]triazolo[43-c]quinazolin-3-yl]sulfanyl}acetate

SMILES

CCOC(CSc1nnc2n1c(-c1ccc(C)cc1)nc1c2cccc1)=O

InChI

InChI=1S/C20H18N4O2S/c1-3-26-17(25)12-27-20-23-22-19-15-6-4-5-7-16(15)21-18(24(19)20)14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3

InChI Key

BTSQMIKPNHFQJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27224539

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.495

Distribution Coefficient, logD

4.465

Water Solubility, LogSw

-4.24

Polar Surface Area

50.740

Acid Dissociation Constant (pKa)

18.62

Base Dissociation Constant (pKb)

6.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

J084-0816 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiviral Library (67538 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with J084-0816 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J084-0816?
Check Price and Availability of J084-0816, 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 J084-0816 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J084-0816
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J084-0816
  • 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 J084-0816 available by request