3455-0551 Screening compound: 2-(benzylsulfanyl)-3-(3-methylphenyl)-3,4-dihydroquinazolin-4-one

3455-0551 Screening compound: 2-(benzylsulfanyl)-3-(3-methylphenyl)-3,4-dihydroquinazolin-4-one
3455-0551 Screening compound: 2-(benzylsulfanyl)-3-(3-methylphenyl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3455-0551
2-(benzylsulfanyl)-3-(3-methylphenyl)-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

3455-0551

Molecular Formula

C22H18N2OS (C22 H18 N2 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(N2C(SCc3ccccc3)=Nc(cccc3)c3C2=O)c1

InChI

InChI=1S/C22H18N2OS/c1-16-8-7-11-18(14-16)24-21(25)19-12-5-6-13-20(19)23-22(24)26-15-17-9-3-2-4-10-17/h2-14H,15H2,1H3

InChI Key

AFHXIRBQXURQBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01992753

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.397

Distribution Coefficient, logD

4.397

Water Solubility, LogSw

-4.42

Polar Surface Area

25.159

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

4.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

3455-0551 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3455-0551 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3455-0551?
Check Price and Availability of 3455-0551, 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 3455-0551 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3455-0551
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3455-0551
  • 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 3455-0551 available by request