4725-0409 Screening compound: ethyl 2-{3-hydroxy-2-oxo-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-2,3-dihydro-1H-indol-1-yl}acetate

4725-0409 Screening compound: ethyl 2-{3-hydroxy-2-oxo-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-2,3-dihydro-1H-indol-1-yl}acetate
4725-0409 Screening compound: ethyl 2-{3-hydroxy-2-oxo-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-2,3-dihydro-1H-indol-1-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4725-0409
ethyl 2-{3-hydroxy-2-oxo-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-2,3-dihydro-1H-indol-1-yl}acetate

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

4725-0409

Molecular Formula

C23H25NO5 (C23 H25 NO5)

Compound Name

ethyl 2-{3-hydroxy-2-oxo-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-2,3-dihydro-1H-indol-1-yl}acetate

IUPAC name

ethyl 2-{3-hydroxy-2-oxo-3-[2-oxo-2-(246-trimethylphenyl)ethyl]-23-dihydro-1H-indol-1-yl}acetate

SMILES

CCOC(CN(C(C1(CC(c2c(C)cc(C)cc2C)=O)O)=O)c2c1cccc2)=O

InChI

InChI=1S/C23H25NO5/c1-5-29-20(26)13-24-18-9-7-6-8-17(18)23(28,22(24)27)12-19(25)21-15(3)10-14(2)11-16(21)4/h6-11,28H,5,12-13H2,1-4H3/t23-/m0/s1

InChI Key

RAVRNUFQDDLPQZ-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD03216031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.538

Distribution Coefficient, logD

3.538

Water Solubility, LogSw

-3.96

Polar Surface Area

64.473

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-4.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

4725-0409 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 4725-0409 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4725-0409?
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What is the minimum amount of 4725-0409 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4725-0409
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4725-0409
  • 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 4725-0409 available by request