6225-0179 Screening compound: 1-ethyl-3-hydroxy-3-[(3E,5E)-2-oxo-6-phenylhexa-3,5-dien-1-yl]-2,3-dihydro-1H-indol-2-one

6225-0179 Screening compound: 1-ethyl-3-hydroxy-3-[(3E,5E)-2-oxo-6-phenylhexa-3,5-dien-1-yl]-2,3-dihydro-1H-indol-2-one
6225-0179 Screening compound: 1-ethyl-3-hydroxy-3-[(3E,5E)-2-oxo-6-phenylhexa-3,5-dien-1-yl]-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6225-0179
1-ethyl-3-hydroxy-3-[(3E,5E)-2-oxo-6-phenylhexa-3,5-dien-1-yl]-2,3-dihydro-1H-indol-2-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

6225-0179

Molecular Formula

C22H21NO3 (C22 H21 NO3)

Compound Name

1-ethyl-3-hydroxy-3-[(3E,5E)-2-oxo-6-phenylhexa-3,5-dien-1-yl]-2,3-dihydro-1H-indol-2-one

IUPAC name

1-ethyl-3-hydroxy-3-[(3E5E)-2-oxo-6-phenylhexa-35-dien-1-yl]-23-dihydro-1H-indol-2-one

SMILES

CCN(C(C1(CC(/C=C/C=C/c2ccccc2)=O)O)=O)c2c1cccc2

InChI

InChI=1S/C22H21NO3/c1-2-23-20-15-9-8-14-19(20)22(26,21(23)25)16-18(24)13-7-6-12-17-10-4-3-5-11-17/h3-15,26H,2,16H2,1H3/t22-/m0/s1

InChI Key

GMZFERDQFWXEAH-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD02909658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.380

Distribution Coefficient, logD

3.380

Water Solubility, LogSw

-3.71

Polar Surface Area

43.547

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-2.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

6225-0179 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 6225-0179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6225-0179?
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What is the minimum amount of 6225-0179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6225-0179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6225-0179
  • 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 6225-0179 available by request