8005-8729 Screening compound: 2-(ethylsulfanyl)-3-phenyl-4(3H)-quinazolinone

8005-8729 Screening compound: 2-(ethylsulfanyl)-3-phenyl-4(3H)-quinazolinone
8005-8729 Screening compound: 2-(ethylsulfanyl)-3-phenyl-4(3H)-quinazolinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-8729
2-(ethylsulfanyl)-3-phenyl-4(3H)-quinazolinone

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

8005-8729

Molecular Formula

C16H14N2OS (C16 H14 N2 OS)

Compound Name

2-(ethylsulfanyl)-3-phenyl-4(3H)-quinazolinone

IUPAC name

2-(ethylsulfanyl)-3-phenyl-34-dihydroquinazolin-4-one

SMILES

CCSC(N1c2ccccc2)=Nc(cccc2)c2C1=O

InChI

InChI=1S/C16H14N2OS/c1-2-20-16-17-14-11-7-6-10-13(14)15(19)18(16)12-8-4-3-5-9-12/h3-11H,2H2,1H3

InChI Key

CFELAOYYJGZQMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00469470

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.040

Distribution Coefficient, logD

3.040

Water Solubility, LogSw

-3.59

Polar Surface Area

25.431

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8005-8729 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Fragments Library (11262 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8005-8729 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-8729?
Check Price and Availability of 8005-8729, 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 8005-8729 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-8729
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-8729
  • 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 8005-8729 available by request