5132-0046 Screening compound: 3-acetyl-2-methyl-1-(4-methylphenyl)-1H-indol-5-yl 2-phenoxyacetate

5132-0046 Screening compound: 3-acetyl-2-methyl-1-(4-methylphenyl)-1H-indol-5-yl 2-phenoxyacetate
5132-0046 Screening compound: 3-acetyl-2-methyl-1-(4-methylphenyl)-1H-indol-5-yl 2-phenoxyacetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5132-0046
3-acetyl-2-methyl-1-(4-methylphenyl)-1H-indol-5-yl 2-phenoxyacetate

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

5132-0046

Molecular Formula

C26H23NO4 (C26 H23 NO4)

Compound Name

3-acetyl-2-methyl-1-(4-methylphenyl)-1H-indol-5-yl 2-phenoxyacetate

IUPAC name

3-acetyl-2-methyl-1-(4-methylphenyl)-1H-indol-5-yl 2-phenoxyacetate

SMILES

CC(c(c1c2ccc(OC(COc3ccccc3)=O)c1)c(C)n2-c1ccc(C)cc1)=O

InChI

InChI=1S/C26H23NO4/c1-17-9-11-20(12-10-17)27-18(2)26(19(3)28)23-15-22(13-14-24(23)27)31-25(29)16-30-21-7-5-4-6-8-21/h4-15H,16H2,1-3H3

InChI Key

DPLVYADYWAAXLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02942757

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.970

Distribution Coefficient, logD

4.970

Water Solubility, LogSw

-4.85

Polar Surface Area

43.291

Acid Dissociation Constant (pKa)

21.32

Base Dissociation Constant (pKb)

-2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

5132-0046 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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 5132-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5132-0046?
Check Price and Availability of 5132-0046, 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 5132-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5132-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5132-0046
  • 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 5132-0046 available by request