4725-0412 Screening compound: 3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-(prop-2-yn-1-yl)-2,3-dihydro-1H-indol-2-one

4725-0412 Screening compound: 3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-(prop-2-yn-1-yl)-2,3-dihydro-1H-indol-2-one
4725-0412 Screening compound: 3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-(prop-2-yn-1-yl)-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4725-0412
3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxy-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

4725-0412

Molecular Formula

C21H19NO3 (C21 H19 NO3)

Compound Name

3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-(prop-2-yn-1-yl)-2,3-dihydro-1H-indol-2-one

IUPAC name

3-[2-(24-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-(prop-2-yn-1-yl)-23-dihydro-1H-indol-2-one

SMILES

Cc(cc1)cc(C)c1C(CC(c(cccc1)c1N1CC#C)(C1=O)O)=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.39

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

3.487

Distribution Coefficient, logD

3.487

Water Solubility, LogSw

-3.78

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

23.80

4725-0412 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 4725-0412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4725-0412?
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What is the minimum amount of 4725-0412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4725-0412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4725-0412
  • 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 4725-0412 available by request