J084-0181 Screening compound: 3-[({5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl}sulfanyl)methyl]pyridine

J084-0181 Screening compound: 3-[({5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl}sulfanyl)methyl]pyridine
J084-0181 Screening compound: 3-[({5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl}sulfanyl)methyl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound J084-0181
3-[({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

J084-0181

Molecular Formula

C21H15N5S (C21 H15 N5 S)

Compound Name

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

IUPAC name

3-[({5-phenyl-[124]triazolo[43-c]quinazolin-3-yl}sulfanyl)methyl]pyridine

SMILES

C(c1cnccc1)Sc1nnc2n1c(-c1ccccc1)nc1c2cccc1

InChI

InChI=1S/C21H15N5S/c1-2-8-16(9-3-1)19-23-18-11-5-4-10-17(18)20-24-25-21(26(19)20)27-14-15-7-6-12-22-13-15/h1-13H,14H2

InChI Key

YERUXQIMUZTAJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27224448

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.068

Distribution Coefficient, logD

3.955

Water Solubility, LogSw

-4.18

Polar Surface Area

39.828

Acid Dissociation Constant (pKa)

20.31

Base Dissociation Constant (pKb)

6.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

J084-0181 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Others

References: we are preparing a list of scientific research reports with J084-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J084-0181?
Check Price and Availability of J084-0181, 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 J084-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J084-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J084-0181
  • 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 J084-0181 available by request