4725-0389 Screening compound: 3-hydroxy-5-methyl-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-2,3-dihydro-1H-indol-2-one

4725-0389 Screening compound: 3-hydroxy-5-methyl-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-2,3-dihydro-1H-indol-2-one
4725-0389 Screening compound: 3-hydroxy-5-methyl-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4725-0389
3-hydroxy-5-methyl-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-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

4725-0389

Molecular Formula

C20H21NO3 (C20 H21 NO3)

Compound Name

3-hydroxy-5-methyl-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-2,3-dihydro-1H-indol-2-one

IUPAC name

3-hydroxy-5-methyl-3-[2-oxo-2-(246-trimethylphenyl)ethyl]-23-dihydro-1H-indol-2-one

SMILES

Cc(cc1)cc(C2(CC(c3c(C)cc(C)cc3C)=O)O)c1NC2=O

InChI

InChI=1S/C20H21NO3/c1-11-5-6-16-15(9-11)20(24,19(23)21-16)10-17(22)18-13(3)7-12(2)8-14(18)4/h5-9,24H,10H2,1-4H3,(H,21,23)/t20-/m0/s1

InChI Key

IAHOGGJABVHDFP-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD03144087

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.814

Distribution Coefficient, logD

3.814

Water Solubility, LogSw

-4.10

Polar Surface Area

53.818

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

4725-0389 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Immunological Library (6760 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4725-0389 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4725-0389?
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What is the minimum amount of 4725-0389 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4725-0389
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4725-0389
  • 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 4725-0389 available by request