D692-0554 Screening compound: 5-({[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}methyl)-2,1,3-benzoxadiazole

D692-0554 Screening compound: 5-({[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}methyl)-2,1,3-benzoxadiazole
D692-0554 Screening compound: 5-({[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}methyl)-2,1,3-benzoxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D692-0554
5-({[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}methyl)-2,1,3-benzoxadiazole

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

D692-0554

Molecular Formula

C20H12N6O2S (C20 H12 N6 O2 S)

Compound Name

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

IUPAC name

5-({[5-(furan-2-yl)-[124]triazolo[43-c]quinazolin-3-yl]sulfanyl}methyl)-213-benzoxadiazole

SMILES

C(c1cc2nonc2cc1)Sc1nnc2n1c(-c1ccco1)nc1c2cccc1

InChI

InChI=1S/C20H12N6O2S/c1-2-5-14-13(4-1)18-22-23-20(26(18)19(21-14)17-6-3-9-27-17)29-11-12-7-8-15-16(10-12)25-28-24-15/h1-10H,11H2

InChI Key

VJLPWRCIWFTVDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14856598

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.332

Distribution Coefficient, logD

4.332

Water Solubility, LogSw

-4.53

Polar Surface Area

74.208

Acid Dissociation Constant (pKa)

20.58

Base Dissociation Constant (pKb)

3.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

D692-0554 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Immune system

References: we are preparing a list of scientific research reports with D692-0554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D692-0554?
Check Price and Availability of D692-0554, 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 D692-0554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D692-0554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D692-0554
  • 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 D692-0554 available by request