4883-0098 Screening compound: ethyl 2-{3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetate

4883-0098 Screening compound: ethyl 2-{3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetate
4883-0098 Screening compound: ethyl 2-{3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4883-0098
ethyl 2-{3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-2-oxo-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

4883-0098

Molecular Formula

C21H21NO6 (C21 H21 NO6)

Compound Name

ethyl 2-{3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetate

IUPAC name

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

SMILES

CCOC(CN(C(C1(CC(c(cccc2)c2OC)=O)O)=O)c2c1cccc2)=O

InChI

InChI=1S/C21H21NO6/c1-3-28-19(24)13-22-16-10-6-5-9-15(16)21(26,20(22)25)12-17(23)14-8-4-7-11-18(14)27-2/h4-11,26H,3,12-13H2,1-2H3/t21-/m0/s1

InChI Key

QKXLAABLTBORJS-NRFANRHFSA-N

MDL Number (MFCD)

MFCD03446355

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.050

Distribution Coefficient, logD

2.050

Water Solubility, LogSw

-2.69

Polar Surface Area

72.103

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-4.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

4883-0098 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 4883-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4883-0098?
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What is the minimum amount of 4883-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4883-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4883-0098
  • 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 4883-0098 available by request