J084-0410 Screening compound: N-(2-{[5-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}ethyl)-N,N-dimethylamine

J084-0410 Screening compound: N-(2-{[5-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}ethyl)-N,N-dimethylamine
J084-0410 Screening compound: N-(2-{[5-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}ethyl)-N,N-dimethylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound J084-0410
N-(2-{[5-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}ethyl)-N,N-dimethylamine

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

J084-0410

Molecular Formula

C20H21N5OS (C20 H21 N5 OS)

Compound Name

N-(2-{[5-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}ethyl)-N,N-dimethylamine

IUPAC name

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

SMILES

CN(C)CCSc1nnc2n1c(-c(cc1)ccc1OC)nc1c2cccc1

InChI

InChI=1S/C20H21N5OS/c1-24(2)12-13-27-20-23-22-19-16-6-4-5-7-17(16)21-18(25(19)20)14-8-10-15(26-3)11-9-14/h4-11H,12-13H2,1-3H3

InChI Key

CQXVTHCHTYLBIL-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.531

Distribution Coefficient, logD

1.179

Water Solubility, LogSw

-3.71

Polar Surface Area

41.991

Acid Dissociation Constant (pKa)

24.12

Base Dissociation Constant (pKb)

9.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

J084-0410 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 J084-0410 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J084-0410?
Check Price and Availability of J084-0410, 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 J084-0410 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J084-0410
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J084-0410
  • 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 J084-0410 available by request