4237-0587 Screening compound: N-(4-fluorophenyl)-2-[1-methyl-3-(phenylsulfanyl)-1H-indol-2-yl]acetamide

4237-0587 Screening compound: N-(4-fluorophenyl)-2-[1-methyl-3-(phenylsulfanyl)-1H-indol-2-yl]acetamide
4237-0587 Screening compound: N-(4-fluorophenyl)-2-[1-methyl-3-(phenylsulfanyl)-1H-indol-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4237-0587
N-(4-fluorophenyl)-2-[1-methyl-3-(phenylsulfanyl)-1H-indol-2-yl]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

4237-0587

Molecular Formula

C23H19FN2OS (C23 H19 FN2 OS)

Compound Name

N-(4-fluorophenyl)-2-[1-methyl-3-(phenylsulfanyl)-1H-indol-2-yl]acetamide

IUPAC name

n/a

SMILES

Cn1c(cccc2)c2c(Sc2ccccc2)c1CC(Nc(cc1)ccc1F)=O

InChI

InChI=1S/C23H19FN2OS/c1-26-20-10-6-5-9-19(20)23(28-18-7-3-2-4-8-18)21(26)15-22(27)25-17-13-11-16(24)12-14-17/h2-14H,15H2,1H3,(H,25,27)

InChI Key

VIFWMGUBAUKVOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02157585

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.003

Distribution Coefficient, logD

5.002

Water Solubility, LogSw

-4.80

Polar Surface Area

24.637

Acid Dissociation Constant (pKa)

10.66

Base Dissociation Constant (pKb)

1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

4237-0587 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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 4237-0587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4237-0587?
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What is the minimum amount of 4237-0587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4237-0587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4237-0587
  • 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 4237-0587 available by request