6969-0913 Screening compound: 1-butyl-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-2,3-dihydro-1H-indol-2-one

6969-0913 Screening compound: 1-butyl-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-2,3-dihydro-1H-indol-2-one
6969-0913 Screening compound: 1-butyl-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6969-0913
1-butyl-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-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

6969-0913

Molecular Formula

C21H23NO4 (C21 H23 NO4)

Compound Name

1-butyl-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-2,3-dihydro-1H-indol-2-one

IUPAC name

1-butyl-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-23-dihydro-1H-indol-2-one

SMILES

CCCCN(C(C1(CC(c(cccc2)c2OC)=O)O)=O)c2c1cccc2

InChI

InChI=1S/C21H23NO4/c1-3-4-13-22-17-11-7-6-10-16(17)21(25,20(22)24)14-18(23)15-9-5-8-12-19(15)26-2/h5-12,25H,3-4,13-14H2,1-2H3/t21-/m0/s1

InChI Key

OSRLLZHUMQPIFA-NRFANRHFSA-N

MDL Number (MFCD)

MFCD03837262

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.280

Distribution Coefficient, logD

3.280

Water Solubility, LogSw

-3.73

Polar Surface Area

51.923

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-1.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

6969-0913 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 6969-0913 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6969-0913?
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What is the minimum amount of 6969-0913 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6969-0913
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6969-0913
  • 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 6969-0913 available by request