6526-0656 Screening compound: 2-[1-benzyl-3-(methylsulfanyl)-1H-indol-2-yl]-N-(2-chlorophenyl)acetamide

6526-0656 Screening compound: 2-[1-benzyl-3-(methylsulfanyl)-1H-indol-2-yl]-N-(2-chlorophenyl)acetamide
6526-0656 Screening compound: 2-[1-benzyl-3-(methylsulfanyl)-1H-indol-2-yl]-N-(2-chlorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6526-0656
2-[1-benzyl-3-(methylsulfanyl)-1H-indol-2-yl]-N-(2-chlorophenyl)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

6526-0656

Molecular Formula

C24H21ClN2OS (C24 H21 ClN2 OS)

Compound Name

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

IUPAC name

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

SMILES

CSc1c(CC(Nc(cccc2)c2Cl)=O)n(Cc2ccccc2)c2c1cccc2

InChI

InChI=1S/C24H21ClN2OS/c1-29-24-18-11-5-8-14-21(18)27(16-17-9-3-2-4-10-17)22(24)15-23(28)26-20-13-7-6-12-19(20)25/h2-14H,15-16H2,1H3,(H,26,28)

InChI Key

KJOPABAMNFAJIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02110817

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.96

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

5.537

Distribution Coefficient, logD

5.537

Water Solubility, LogSw

-5.86

Polar Surface Area

23.129

Acid Dissociation Constant (pKa)

10.48

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

6526-0656 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6526-0656 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6526-0656?
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What is the minimum amount of 6526-0656 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6526-0656
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6526-0656
  • 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 6526-0656 available by request