4725-0402 Screening compound: 3-[2-(2,4-DIMETHYLPHENYL)-2-OXOETHYL]-3-HYDROXY-1-(2-PHENYLETHYL)-2,3-DIHYDRO-1H-INDOL-2-ONE

4725-0402 Screening compound: 3-[2-(2,4-DIMETHYLPHENYL)-2-OXOETHYL]-3-HYDROXY-1-(2-PHENYLETHYL)-2,3-DIHYDRO-1H-INDOL-2-ONE
4725-0402 Screening compound: 3-[2-(2,4-DIMETHYLPHENYL)-2-OXOETHYL]-3-HYDROXY-1-(2-PHENYLETHYL)-2,3-DIHYDRO-1H-INDOL-2-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 4725-0402
3-[2-(2,4-DIMETHYLPHENYL)-2-OXOETHYL]-3-HYDROXY-1-(2-PHENYLETHYL)-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

4725-0402

Molecular Formula

C26H25NO3 (C26 H25 NO3)

Compound Name

3-[2-(2,4-DIMETHYLPHENYL)-2-OXOETHYL]-3-HYDROXY-1-(2-PHENYLETHYL)-2,3-DIHYDRO-1H-INDOL-2-ONE

IUPAC name

n/a

SMILES

Cc(cc1)cc(C)c1C(CC(c(cccc1)c1N1CCc2ccccc2)(C1=O)O)=O

InChI

InChI=1S/C26H25NO3/c1-18-12-13-21(19(2)16-18)24(28)17-26(30)22-10-6-7-11-23(22)27(25(26)29)15-14-20-8-4-3-5-9-20/h3-13,16,30H,14-15,17H2,1-2H3/t26-/m0/s1

InChI Key

GFHURFMAAURQRT-SANMLTNESA-N

MDL Number (MFCD)

MFCD03216028

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.49

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

4.773

Distribution Coefficient, logD

4.773

Water Solubility, LogSw

-4.50

Polar Surface Area

44.021

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-2.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

4725-0402 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4725-0402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4725-0402?
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What is the minimum amount of 4725-0402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4725-0402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4725-0402
  • 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 4725-0402 available by request