7210-4494 Screening compound: 3-benzoyl-1-[2-(3-methoxyphenoxy)ethyl]-1H-indole

7210-4494 Screening compound: 3-benzoyl-1-[2-(3-methoxyphenoxy)ethyl]-1H-indole
7210-4494 Screening compound: 3-benzoyl-1-[2-(3-methoxyphenoxy)ethyl]-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 7210-4494
3-benzoyl-1-[2-(3-methoxyphenoxy)ethyl]-1H-indole

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

7210-4494

Molecular Formula

C24H21NO3 (C24 H21 NO3)

Compound Name

3-benzoyl-1-[2-(3-methoxyphenoxy)ethyl]-1H-indole

IUPAC name

3-benzoyl-1-[2-(3-methoxyphenoxy)ethyl]-1H-indole

SMILES

COc1cccc(OCCn2c(cccc3)c3c(C(c3ccccc3)=O)c2)c1

InChI

InChI=1S/C24H21NO3/c1-27-19-10-7-11-20(16-19)28-15-14-25-17-22(21-12-5-6-13-23(21)25)24(26)18-8-3-2-4-9-18/h2-13,16-17H,14-15H2,1H3

InChI Key

NUTQSVWMGVRYOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05996437

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.158

Distribution Coefficient, logD

5.158

Water Solubility, LogSw

-5.10

Polar Surface Area

30.378

Acid Dissociation Constant (pKa)

28.32

Base Dissociation Constant (pKb)

-2.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

7210-4494 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 7210-4494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7210-4494?
Check Price and Availability of 7210-4494, 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 7210-4494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7210-4494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7210-4494
  • 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 7210-4494 available by request