6655-0538 Screening compound: ethyl 2-(3-benzoyl-1H-indol-1-yl)acetate

6655-0538 Screening compound: ethyl 2-(3-benzoyl-1H-indol-1-yl)acetate
6655-0538 Screening compound: ethyl 2-(3-benzoyl-1H-indol-1-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6655-0538
ethyl 2-(3-benzoyl-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

6655-0538

Molecular Formula

C19H17NO3 (C19 H17 NO3)

Compound Name

ethyl 2-(3-benzoyl-1H-indol-1-yl)acetate

IUPAC name

ethyl 2-(3-benzoyl-1H-indol-1-yl)acetate

SMILES

CCOC(Cn1c(cccc2)c2c(C(c2ccccc2)=O)c1)=O

InChI

InChI=1S/C19H17NO3/c1-2-23-18(21)13-20-12-16(15-10-6-7-11-17(15)20)19(22)14-8-4-3-5-9-14/h3-12H,2,13H2,1H3

InChI Key

IEIZQWBKZVZJAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04349902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.450

Distribution Coefficient, logD

3.450

Water Solubility, LogSw

-3.51

Polar Surface Area

35.868

Acid Dissociation Constant (pKa)

22.71

Base Dissociation Constant (pKb)

-4.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

6655-0538 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Serine Proteases Inhibitors Library (32732 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
  • Pool
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 6655-0538 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6655-0538?
Check Price and Availability of 6655-0538, 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 6655-0538 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6655-0538
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6655-0538
  • 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 6655-0538 available by request