4408-0169 Screening compound: 2-{[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide

4408-0169 Screening compound: 2-{[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
4408-0169 Screening compound: 2-{[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4408-0169
2-{[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide

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

4408-0169

Molecular Formula

C24H20ClN3O3S (C24 H20 ClN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1NC(CSC(N1c(cc2)ccc2Cl)=Nc(cccc2)c2C1=O)=O

InChI

InChI=1S/C24H20ClN3O3S/c1-2-31-19-13-9-17(10-14-19)26-22(29)15-32-24-27-21-6-4-3-5-20(21)23(30)28(24)18-11-7-16(25)8-12-18/h3-14H,2,15H2,1H3,(H,26,29)

InChI Key

XEEPUGHLVINWIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03223410

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.96

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.538

Distribution Coefficient, logD

4.538

Water Solubility, LogSw

-4.64

Polar Surface Area

55.432

Acid Dissociation Constant (pKa)

12.79

Base Dissociation Constant (pKb)

2.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

4408-0169 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 4408-0169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4408-0169?
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What is the minimum amount of 4408-0169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4408-0169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4408-0169
  • 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 4408-0169 available by request