J084-0202 Screening compound: 4-methoxy-3,5-dimethyl-2-[({5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl}sulfanyl)methyl]pyridine

J084-0202 Screening compound: 4-methoxy-3,5-dimethyl-2-[({5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl}sulfanyl)methyl]pyridine
J084-0202 Screening compound: 4-methoxy-3,5-dimethyl-2-[({5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl}sulfanyl)methyl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound J084-0202
4-methoxy-3,5-dimethyl-2-[({5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl}sulfanyl)methyl]pyridine

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

J084-0202

Molecular Formula

C24H21N5OS (C24 H21 N5 OS)

Compound Name

4-methoxy-3,5-dimethyl-2-[({5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl}sulfanyl)methyl]pyridine

IUPAC name

4-methoxy-35-dimethyl-2-[({5-phenyl-[124]triazolo[43-c]quinazolin-3-yl}sulfanyl)methyl]pyridine

SMILES

Cc1cnc(CSc2nnc3n2c(-c2ccccc2)nc2c3cccc2)c(C)c1OC

InChI

InChI=1S/C24H21N5OS/c1-15-13-25-20(16(2)21(15)30-3)14-31-24-28-27-23-18-11-7-8-12-19(18)26-22(29(23)24)17-9-5-4-6-10-17/h4-13H,14H2,1-3H3

InChI Key

JICCOSILEGBQHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15080287

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.157

Distribution Coefficient, logD

5.038

Water Solubility, LogSw

-5.24

Polar Surface Area

48.430

Acid Dissociation Constant (pKa)

24.06

Base Dissociation Constant (pKb)

6.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

J084-0202 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Inflammatory Library (24602 compounds)

Antifungal Library (16415 compounds)

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro

References: we are preparing a list of scientific research reports with J084-0202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J084-0202?
Check Price and Availability of J084-0202, 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 J084-0202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J084-0202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J084-0202
  • 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 J084-0202 available by request