3455-0548 Screening compound: 2-(butylsulfanyl)-3-(3-methylphenyl)-3,4-dihydroquinazolin-4-one

3455-0548 Screening compound: 2-(butylsulfanyl)-3-(3-methylphenyl)-3,4-dihydroquinazolin-4-one
3455-0548 Screening compound: 2-(butylsulfanyl)-3-(3-methylphenyl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3455-0548
2-(butylsulfanyl)-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

3455-0548

Molecular Formula

C19H20N2OS (C19 H20 N2 OS)

Compound Name

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

IUPAC name

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

SMILES

CCCCSC(N1c2cc(C)ccc2)=Nc(cccc2)c2C1=O

InChI

InChI=1S/C19H20N2OS/c1-3-4-12-23-19-20-17-11-6-5-10-16(17)18(22)21(19)15-9-7-8-14(2)13-15/h5-11,13H,3-4,12H2,1-2H3

InChI Key

MMPUFHUEPDMXQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01992750

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.715

Distribution Coefficient, logD

4.715

Water Solubility, LogSw

-4.59

Polar Surface Area

25.431

Acid Dissociation Constant (pKa)

28.32

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

3455-0548 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Inflammatory Library (24602 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3455-0548 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3455-0548?
Check Price and Availability of 3455-0548, 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 3455-0548 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3455-0548
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3455-0548
  • 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 3455-0548 available by request