D692-0448 Screening compound: 4-({[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}methyl)-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole

D692-0448 Screening compound: 4-({[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}methyl)-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole
D692-0448 Screening compound: 4-({[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}methyl)-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D692-0448
4-({[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}methyl)-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole

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

D692-0448

Molecular Formula

C25H19N5O3S (C25 H19 N5 O3 S)

Compound Name

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

IUPAC name

4-({[5-(furan-2-yl)-[124]triazolo[43-c]quinazolin-3-yl]sulfanyl}methyl)-2-(4-methoxyphenyl)-5-methyl-13-oxazole

SMILES

Cc1c(CSc2nnc3n2c(-c2ccco2)nc2c3cccc2)nc(-c(cc2)ccc2OC)o1

InChI

InChI=1S/C25H19N5O3S/c1-15-20(27-24(33-15)16-9-11-17(31-2)12-10-16)14-34-25-29-28-22-18-6-3-4-7-19(18)26-23(30(22)25)21-8-5-13-32-21/h3-13H,14H2,1-2H3

InChI Key

VHLHMJTZTYILTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596614

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.026

Distribution Coefficient, logD

5.026

Water Solubility, LogSw

-4.87

Polar Surface Area

64.554

Acid Dissociation Constant (pKa)

26.13

Base Dissociation Constant (pKb)

3.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

D692-0448 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D692-0448 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D692-0448?
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What is the minimum amount of D692-0448 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D692-0448
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D692-0448
  • 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 D692-0448 available by request