6948-4476 Screening compound: 3-cyclohexanecarbonyl-1-[2-(2-methylphenoxy)ethyl]-1H-indole

6948-4476 Screening compound: 3-cyclohexanecarbonyl-1-[2-(2-methylphenoxy)ethyl]-1H-indole
6948-4476 Screening compound: 3-cyclohexanecarbonyl-1-[2-(2-methylphenoxy)ethyl]-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 6948-4476
3-cyclohexanecarbonyl-1-[2-(2-methylphenoxy)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

6948-4476

Molecular Formula

C24H27NO2 (C24 H27 NO2)

Compound Name

3-cyclohexanecarbonyl-1-[2-(2-methylphenoxy)ethyl]-1H-indole

IUPAC name

3-cyclohexanecarbonyl-1-[2-(2-methylphenoxy)ethyl]-1H-indole

SMILES

Cc(cccc1)c1OCCn1c(cccc2)c2c(C(C2CCCCC2)=O)c1

InChI

InChI=1S/C24H27NO2/c1-18-9-5-8-14-23(18)27-16-15-25-17-21(20-12-6-7-13-22(20)25)24(26)19-10-3-2-4-11-19/h5-9,12-14,17,19H,2-4,10-11,15-16H2,1H3

InChI Key

WDJHWQAJZGVVGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04396387

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.115

Distribution Coefficient, logD

6.115

Water Solubility, LogSw

-5.50

Polar Surface Area

23.113

Acid Dissociation Constant (pKa)

20.03

Base Dissociation Constant (pKb)

-1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

6948-4476 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 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 6948-4476 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6948-4476?
Check Price and Availability of 6948-4476, 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 6948-4476 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6948-4476
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6948-4476
  • 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 6948-4476 available by request