4298-0087 Screening compound: 2-{[(3Z)-1-ethyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-3-phenyl-3,4-dihydroquinazolin-4-one

4298-0087 Screening compound: 2-{[(3Z)-1-ethyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-3-phenyl-3,4-dihydroquinazolin-4-one
4298-0087 Screening compound: 2-{[(3Z)-1-ethyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-3-phenyl-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4298-0087
2-{[(3Z)-1-ethyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-3-phenyl-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

4298-0087

Molecular Formula

C25H19N3O2 (C25 H19 N3 O2)

Compound Name

2-{[(3Z)-1-ethyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-3-phenyl-3,4-dihydroquinazolin-4-one

IUPAC name

2-{[(3Z)-1-ethyl-2-oxo-23-dihydro-1H-indol-3-ylidene]methyl}-3-phenyl-34-dihydroquinazolin-4-one

SMILES

CCN(c(cccc1)c1/C1=C/C(N2c3ccccc3)=Nc(cccc3)c3C2=O)C1=O

InChI

InChI=1S/C25H19N3O2/c1-2-27-22-15-9-7-12-18(22)20(24(27)29)16-23-26-21-14-8-6-13-19(21)25(30)28(23)17-10-4-3-5-11-17/h3-16H,2H2,1H3

InChI Key

YTNXBDRGDUEWNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01046948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.344

Distribution Coefficient, logD

3.343

Water Solubility, LogSw

-3.85

Polar Surface Area

40.059

Acid Dissociation Constant (pKa)

26.68

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

4298-0087 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

PI3K-Targeted Library (17255 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4298-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4298-0087?
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What is the minimum amount of 4298-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4298-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4298-0087
  • 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 4298-0087 available by request