D692-0494 Screening compound: 3-{[(4-fluorophenyl)methyl]sulfanyl}-5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazoline

D692-0494 Screening compound: 3-{[(4-fluorophenyl)methyl]sulfanyl}-5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazoline
D692-0494 Screening compound: 3-{[(4-fluorophenyl)methyl]sulfanyl}-5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazoline alternative view

Chemical Structure Depiction of ChemDiv screening compound D692-0494
3-{[(4-fluorophenyl)methyl]sulfanyl}-5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazoline

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

D692-0494

Molecular Formula

C20H13FN4OS (C20 H13 FN4 OS)

Compound Name

3-{[(4-fluorophenyl)methyl]sulfanyl}-5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazoline

IUPAC name

3-{[(4-fluorophenyl)methyl]sulfanyl}-5-(furan-2-yl)-[124]triazolo[43-c]quinazoline

SMILES

Fc1ccc(CSc2nnc3n2c(-c2ccco2)nc2c3cccc2)cc1

InChI

InChI=1S/C20H13FN4OS/c21-14-9-7-13(8-10-14)12-27-20-24-23-18-15-4-1-2-5-16(15)22-19(25(18)20)17-6-3-11-26-17/h1-11H,12H2

InChI Key

ZSYQAZFKQKHOMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.41

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

4.163

Distribution Coefficient, logD

4.163

Water Solubility, LogSw

-4.42

Polar Surface Area

38.889

Acid Dissociation Constant (pKa)

22.71

Base Dissociation Constant (pKb)

3.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

D692-0494 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D692-0494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D692-0494?
Check Price and Availability of D692-0494, 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 D692-0494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D692-0494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D692-0494
  • 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 D692-0494 available by request