4725-0399 Screening compound: 1-ethyl-3-hydroxy-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-2,3-dihydro-1H-indol-2-one

4725-0399 Screening compound: 1-ethyl-3-hydroxy-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-2,3-dihydro-1H-indol-2-one
4725-0399 Screening compound: 1-ethyl-3-hydroxy-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 4725-0399
1-ethyl-3-hydroxy-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

4725-0399

Molecular Formula

C21H23NO3 (C21 H23 NO3)

Compound Name

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

IUPAC name

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

SMILES

CCN(C(C1(CC(c2c(C)cc(C)cc2C)=O)O)=O)c2c1cccc2

InChI

InChI=1S/C21H23NO3/c1-5-22-17-9-7-6-8-16(17)21(25,20(22)24)12-18(23)19-14(3)10-13(2)11-15(19)4/h6-11,25H,5,12H2,1-4H3/t21-/m0/s1

InChI Key

WXXQYGWZASAPGB-NRFANRHFSA-N

MDL Number (MFCD)

MFCD03144325

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.804

Distribution Coefficient, logD

3.804

Water Solubility, LogSw

-4.16

Polar Surface Area

44.039

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-1.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

4725-0399 in Drug Discovery

Included in Screening Libraries

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 4725-0399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4725-0399?
Check Price and Availability of 4725-0399, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4725-0399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4725-0399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4725-0399
  • 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 4725-0399 available by request