R052-2800 Screening compound: 1-[2-(2-chlorophenoxy)ethyl]-1H-indole-3-carbaldehyde

R052-2800 Screening compound: 1-[2-(2-chlorophenoxy)ethyl]-1H-indole-3-carbaldehyde
R052-2800 Screening compound: 1-[2-(2-chlorophenoxy)ethyl]-1H-indole-3-carbaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound R052-2800
1-[2-(2-chlorophenoxy)ethyl]-1H-indole-3-carbaldehyde

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

R052-2800

Molecular Formula

C17H14ClNO2 (C17 H14 ClNO2)

Compound Name

1-[2-(2-chlorophenoxy)ethyl]-1H-indole-3-carbaldehyde

IUPAC name

1-[2-(2-chlorophenoxy)ethyl]-1H-indole-3-carbaldehyde

SMILES

O=Cc1cn(CCOc(cccc2)c2Cl)c2c1cccc2

InChI

InChI=1S/C17H14ClNO2/c18-15-6-2-4-8-17(15)21-10-9-19-11-13(12-20)14-5-1-3-7-16(14)19/h1-8,11-12H,9-10H2

InChI Key

LEXJQXDFUWITRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02197472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.76

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.849

Distribution Coefficient, logD

3.849

Water Solubility, LogSw

-4.09

Polar Surface Area

23.613

Acid Dissociation Constant (pKa)

28.32

Base Dissociation Constant (pKb)

-2.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

R052-2800 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 compounds)

STING Agonist Library (5895 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • Cyclic compounds
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with R052-2800 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R052-2800?
Check Price and Availability of R052-2800, 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 R052-2800 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R052-2800
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R052-2800
  • 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 R052-2800 available by request