5449-0051 Screening compound: 5-bromo-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)-2,3-dihydro-1H-indol-2-one

5449-0051 Screening compound: 5-bromo-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)-2,3-dihydro-1H-indol-2-one
5449-0051 Screening compound: 5-bromo-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5449-0051
5-bromo-3-[2-(3,4-dimethoxyphenyl)-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

5449-0051

Molecular Formula

C26H24BrNO5 (C26 H24 BrNO5)

Compound Name

5-bromo-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)-2,3-dihydro-1H-indol-2-one

IUPAC name

5-bromo-3-[2-(34-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)-23-dihydro-1H-indol-2-one

SMILES

COc(ccc(C(CC(c(cc(cc1)Br)c1N1CCc2ccccc2)(C1=O)O)=O)c1)c1OC

InChI

InChI=1S/C26H24BrNO5/c1-32-23-11-8-18(14-24(23)33-2)22(29)16-26(31)20-15-19(27)9-10-21(20)28(25(26)30)13-12-17-6-4-3-5-7-17/h3-11,14-15,31H,12-13,16H2,1-2H3/t26-/m0/s1

InChI Key

GACYSSXNAFFNQK-SANMLTNESA-N

MDL Number (MFCD)

MFCD08050408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.374

Distribution Coefficient, logD

4.374

Water Solubility, LogSw

-4.39

Polar Surface Area

59.282

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-3.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

5449-0051 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 5449-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5449-0051?
Check Price and Availability of 5449-0051, 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 5449-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5449-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5449-0051
  • 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 5449-0051 available by request