3237-0170 Screening compound: N-benzyl-N-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}formamide

3237-0170 Screening compound: N-benzyl-N-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}formamide
3237-0170 Screening compound: N-benzyl-N-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}formamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3237-0170
N-benzyl-N-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}formamide

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

3237-0170

Molecular Formula

C17H13NO2S (C17 H13 NO2 S)

Compound Name

N-benzyl-N-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}formamide

IUPAC name

N-benzyl-N-{[(2Z)-3-oxo-23-dihydro-1-benzothiophen-2-ylidene]methyl}formamide

SMILES

O=CN(Cc1ccccc1)/C=C1\Sc(cccc2)c2C1=O

InChI

InChI=1S/C17H13NO2S/c19-12-18(10-13-6-2-1-3-7-13)11-16-17(20)14-8-4-5-9-15(14)21-16/h1-9,11-12H,10H2

InChI Key

CIFWOGZODTYLBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01948291

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.830

Distribution Coefficient, logD

2.830

Water Solubility, LogSw

-3.54

Polar Surface Area

31.650

Acid Dissociation Constant (pKa)

31.80

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

3237-0170 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 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 3237-0170 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3237-0170?
Check Price and Availability of 3237-0170, 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 3237-0170 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3237-0170
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3237-0170
  • 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 3237-0170 available by request