3455-0545 Screening compound: 3-(3-methylphenyl)-2-(methylsulfanyl)-3,4-dihydroquinazolin-4-one

3455-0545 Screening compound: 3-(3-methylphenyl)-2-(methylsulfanyl)-3,4-dihydroquinazolin-4-one
3455-0545 Screening compound: 3-(3-methylphenyl)-2-(methylsulfanyl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3455-0545
3-(3-methylphenyl)-2-(methylsulfanyl)-3,4-dihydroquinazolin-4-one

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

3455-0545

Molecular Formula

C16H14N2OS (C16 H14 N2 OS)

Compound Name

3-(3-methylphenyl)-2-(methylsulfanyl)-3,4-dihydroquinazolin-4-one

IUPAC name

3-(3-methylphenyl)-2-(methylsulfanyl)-34-dihydroquinazolin-4-one

SMILES

Cc1cccc(N2C(SC)=Nc(cccc3)c3C2=O)c1

InChI

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

InChI Key

SQELFMOZMHVIGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01992747

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

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.147

Distribution Coefficient, logD

3.146

Water Solubility, LogSw

-3.60

Polar Surface Area

25.431

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

4.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

3455-0545 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

Fragments Library (11262 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3455-0545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3455-0545?
Check Price and Availability of 3455-0545, 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 3455-0545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3455-0545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3455-0545
  • 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 3455-0545 available by request