3236-0260 Screening compound: 3-chloro-6-methyl-N~2~-phenethyl-1-benzothiophene-2-carboxamide

3236-0260 Screening compound: 3-chloro-6-methyl-N~2~-phenethyl-1-benzothiophene-2-carboxamide
3236-0260 Screening compound: 3-chloro-6-methyl-N~2~-phenethyl-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3236-0260
3-chloro-6-methyl-N~2~-phenethyl-1-benzothiophene-2-carboxamide

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

3236-0260

Molecular Formula

C18H16ClNOS (C18 H16 ClNOS)

Compound Name

3-chloro-6-methyl-N~2~-phenethyl-1-benzothiophene-2-carboxamide

IUPAC name

3-chloro-6-methyl-N-(2-phenylethyl)-1-benzothiophene-2-carboxamide

SMILES

Cc(cc1)cc2c1c(Cl)c(C(NCCc1ccccc1)=O)s2

InChI

InChI=1S/C18H16ClNOS/c1-12-7-8-14-15(11-12)22-17(16(14)19)18(21)20-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,20,21)

InChI Key

MGIQDMGIVQACIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02086858

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.85

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.942

Distribution Coefficient, logD

4.942

Water Solubility, LogSw

-5.02

Polar Surface Area

25.240

Acid Dissociation Constant (pKa)

12.84

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

3236-0260 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 3236-0260 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3236-0260?
Check Price and Availability of 3236-0260, 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 3236-0260 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3236-0260
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3236-0260
  • 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 3236-0260 available by request