D692-0546 Screening compound: 4-({[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}methyl)pyridine

D692-0546 Screening compound: 4-({[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}methyl)pyridine
D692-0546 Screening compound: 4-({[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}methyl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound D692-0546
4-({[5-(furan-2-yl)-[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

D692-0546

Molecular Formula

C19H13N5OS (C19 H13 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

C(c1ccncc1)Sc1nnc2n1c(-c1ccco1)nc1c2cccc1

InChI

InChI=1S/C19H13N5OS/c1-2-5-15-14(4-1)17-22-23-19(26-12-13-7-9-20-10-8-13)24(17)18(21-15)16-6-3-11-25-16/h1-11H,12H2

InChI Key

KRFDIXLKDCCUMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14856594

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.778

Distribution Coefficient, logD

2.773

Water Solubility, LogSw

-2.79

Polar Surface Area

48.317

Acid Dissociation Constant (pKa)

24.00

Base Dissociation Constant (pKb)

5.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

D692-0546 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with D692-0546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D692-0546?
Check Price and Availability of D692-0546, 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 D692-0546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D692-0546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D692-0546
  • 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 D692-0546 available by request