4237-0586 Screening compound: 2-[1-methyl-3-(phenylsulfanyl)-1H-indol-2-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

4237-0586 Screening compound: 2-[1-methyl-3-(phenylsulfanyl)-1H-indol-2-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
4237-0586 Screening compound: 2-[1-methyl-3-(phenylsulfanyl)-1H-indol-2-yl]-N-[2-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4237-0586
2-[1-methyl-3-(phenylsulfanyl)-1H-indol-2-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

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

4237-0586

Molecular Formula

C24H19F3N2OS (C24 H19 F3 N2 OS)

Compound Name

2-[1-methyl-3-(phenylsulfanyl)-1H-indol-2-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-[1-methyl-3-(phenylsulfanyl)-1H-indol-2-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

SMILES

Cn1c(cccc2)c2c(Sc2ccccc2)c1CC(Nc1c(C(F)(F)F)cccc1)=O

InChI

InChI=1S/C24H19F3N2OS/c1-29-20-14-8-5-11-17(20)23(31-16-9-3-2-4-10-16)21(29)15-22(30)28-19-13-7-6-12-18(19)24(25,26)27/h2-14H,15H2,1H3,(H,28,30)

InChI Key

KOJGNAATMNZQPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02157584

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.489

Distribution Coefficient, logD

5.489

Water Solubility, LogSw

-5.66

Polar Surface Area

23.939

Acid Dissociation Constant (pKa)

12.21

Base Dissociation Constant (pKb)

0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

4237-0586 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antibacterial Compounds Library (13827 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
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 4237-0586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4237-0586?
Check Price and Availability of 4237-0586, 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 4237-0586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4237-0586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4237-0586
  • 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 4237-0586 available by request