4725-0414 Screening compound: 3-hydroxy-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-1-(prop-2-yn-1-yl)-2,3-dihydro-1H-indol-2-one

4725-0414 Screening compound: 3-hydroxy-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-1-(prop-2-yn-1-yl)-2,3-dihydro-1H-indol-2-one
4725-0414 Screening compound: 3-hydroxy-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-1-(prop-2-yn-1-yl)-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4725-0414
3-hydroxy-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-1-(prop-2-yn-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

4725-0414

Molecular Formula

C22H21NO3 (C22 H21 NO3)

Compound Name

3-hydroxy-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-1-(prop-2-yn-1-yl)-2,3-dihydro-1H-indol-2-one

IUPAC name

3-hydroxy-3-[2-oxo-2-(246-trimethylphenyl)ethyl]-1-(prop-2-yn-1-yl)-23-dihydro-1H-indol-2-one

SMILES

Cc1cc(C)c(C(CC(c(cccc2)c2N2CC#C)(C2=O)O)=O)c(C)c1

InChI

InChI=1S/C22H21NO3/c1-5-10-23-18-9-7-6-8-17(18)22(26,21(23)25)13-19(24)20-15(3)11-14(2)12-16(20)4/h1,6-9,11-12,26H,10,13H2,2-4H3/t22-/m0/s1

InChI Key

DKQPMVUUFUIDCP-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD03216034

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

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.919

Distribution Coefficient, logD

3.919

Water Solubility, LogSw

-4.26

Polar Surface Area

44.293

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-4.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

4725-0414 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4725-0414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4725-0414?
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What is the minimum amount of 4725-0414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4725-0414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4725-0414
  • 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 4725-0414 available by request