4408-0156 Screening compound: 2-{[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-phenylacetamide

4408-0156 Screening compound: 2-{[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-phenylacetamide
4408-0156 Screening compound: 2-{[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4408-0156
2-{[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-phenylacetamide

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

4408-0156

Molecular Formula

C22H16ClN3O2S (C22 H16 ClN3 O2 S)

Compound Name

2-{[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-phenylacetamide

IUPAC name

2-{[3-(4-chlorophenyl)-4-oxo-34-dihydroquinazolin-2-yl]sulfanyl}-N-phenylacetamide

SMILES

O=C(CSC(N1c(cc2)ccc2Cl)=Nc(cccc2)c2C1=O)Nc1ccccc1

InChI

InChI=1S/C22H16ClN3O2S/c23-15-10-12-17(13-11-15)26-21(28)18-8-4-5-9-19(18)25-22(26)29-14-20(27)24-16-6-2-1-3-7-16/h1-13H,14H2,(H,24,27)

InChI Key

YEVJYPPMFSNQIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03153455

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.977

Distribution Coefficient, logD

3.977

Water Solubility, LogSw

-4.62

Polar Surface Area

48.309

Acid Dissociation Constant (pKa)

13.11

Base Dissociation Constant (pKb)

2.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

4408-0156 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 4408-0156 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4408-0156?
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What is the minimum amount of 4408-0156 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4408-0156
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4408-0156
  • 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 4408-0156 available by request