3133-0066 Screening compound: N-(4-ethoxyphenyl)-2-[(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamide

3133-0066 Screening compound: N-(4-ethoxyphenyl)-2-[(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamide
3133-0066 Screening compound: N-(4-ethoxyphenyl)-2-[(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3133-0066
N-(4-ethoxyphenyl)-2-[(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]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

3133-0066

Molecular Formula

C24H21N3O3S (C24 H21 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1NC(CSC(N1c2ccccc2)=Nc(cccc2)c2C1=O)=O

InChI

InChI=1S/C24H21N3O3S/c1-2-30-19-14-12-17(13-15-19)25-22(28)16-31-24-26-21-11-7-6-10-20(21)23(29)27(24)18-8-4-3-5-9-18/h3-15H,2,16H2,1H3,(H,25,28)

InChI Key

DOFPPPHQFZKYAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01834415

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.52

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

3.822

Distribution Coefficient, logD

3.822

Water Solubility, LogSw

-3.98

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

3133-0066 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 3133-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3133-0066?
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What is the minimum amount of 3133-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3133-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3133-0066
  • 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 3133-0066 available by request