C156-0252 Screening compound: 3,4-dimethyl-N-{2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl}benzamide

C156-0252 Screening compound: 3,4-dimethyl-N-{2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl}benzamide
C156-0252 Screening compound: 3,4-dimethyl-N-{2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C156-0252
3,4-dimethyl-N-{2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl}benzamide

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

C156-0252

Molecular Formula

C20H22N2OS (C20 H22 N2 OS)

Compound Name

3,4-dimethyl-N-{2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl}benzamide

IUPAC name

34-dimethyl-N-{2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl}benzamide

SMILES

Cc([nH]c1c2cccc1)c2SCCNC(c1cc(C)c(C)cc1)=O

InChI

InChI=1S/C20H22N2OS/c1-13-8-9-16(12-14(13)2)20(23)21-10-11-24-19-15(3)22-18-7-5-4-6-17(18)19/h4-9,12,22H,10-11H2,1-3H3,(H,21,23)

InChI Key

JBVJPNOLWKXLQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04458695

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.224

Distribution Coefficient, logD

4.224

Water Solubility, LogSw

-4.29

Polar Surface Area

34.419

Acid Dissociation Constant (pKa)

12.77

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C156-0252 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 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:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C156-0252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C156-0252?
Check Price and Availability of C156-0252, 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 C156-0252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C156-0252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C156-0252
  • 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 C156-0252 available by request