6526-0629 Screening compound: 2-[1-benzyl-3-(methylsulfanyl)-1H-indol-2-yl]-N-(4-fluorophenyl)acetamide

6526-0629 Screening compound: 2-[1-benzyl-3-(methylsulfanyl)-1H-indol-2-yl]-N-(4-fluorophenyl)acetamide
6526-0629 Screening compound: 2-[1-benzyl-3-(methylsulfanyl)-1H-indol-2-yl]-N-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6526-0629
2-[1-benzyl-3-(methylsulfanyl)-1H-indol-2-yl]-N-(4-fluorophenyl)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

6526-0629

Molecular Formula

C24H21FN2OS (C24 H21 FN2 OS)

Compound Name

2-[1-benzyl-3-(methylsulfanyl)-1H-indol-2-yl]-N-(4-fluorophenyl)acetamide

IUPAC name

2-[1-benzyl-3-(methylsulfanyl)-1H-indol-2-yl]-N-(4-fluorophenyl)acetamide

SMILES

CSc1c(CC(Nc(cc2)ccc2F)=O)n(Cc2ccccc2)c2c1cccc2

InChI

InChI=1S/C24H21FN2OS/c1-29-24-20-9-5-6-10-21(20)27(16-17-7-3-2-4-8-17)22(24)15-23(28)26-19-13-11-18(25)12-14-19/h2-14H,15-16H2,1H3,(H,26,28)

InChI Key

USKOPWBFDBUXHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02069406

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.51

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

5.516

Distribution Coefficient, logD

5.515

Water Solubility, LogSw

-5.68

Polar Surface Area

23.827

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

6526-0629 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 6526-0629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6526-0629?
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What is the minimum amount of 6526-0629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6526-0629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6526-0629
  • 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 6526-0629 available by request