3455-0553 Screening compound: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(3-methylphenyl)-3,4-dihydroquinazolin-4-one

3455-0553 Screening compound: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(3-methylphenyl)-3,4-dihydroquinazolin-4-one
3455-0553 Screening compound: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(3-methylphenyl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3455-0553
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-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

3455-0553

Molecular Formula

C23H17ClN2O2S (C23 H17 ClN2 O2 S)

Compound Name

2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(3-methylphenyl)-3,4-dihydroquinazolin-4-one

IUPAC name

2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(3-methylphenyl)-34-dihydroquinazolin-4-one

SMILES

Cc1cccc(N2C(SCC(c(cc3)ccc3Cl)=O)=Nc(cccc3)c3C2=O)c1

InChI

InChI=1S/C23H17ClN2O2S/c1-15-5-4-6-18(13-15)26-22(28)19-7-2-3-8-20(19)25-23(26)29-14-21(27)16-9-11-17(24)12-10-16/h2-13H,14H2,1H3

InChI Key

ZQIKQIMATYSVCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01992755

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.92

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.795

Distribution Coefficient, logD

4.793

Water Solubility, LogSw

-4.85

Polar Surface Area

38.406

Acid Dissociation Constant (pKa)

27.00

Base Dissociation Constant (pKb)

4.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

3455-0553 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3455-0553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3455-0553?
Check Price and Availability of 3455-0553, 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 3455-0553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3455-0553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3455-0553
  • 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 3455-0553 available by request