3237-0163 Screening compound: N-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}-N-phenylpropanamide

3237-0163 Screening compound: N-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}-N-phenylpropanamide
3237-0163 Screening compound: N-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}-N-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3237-0163
N-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}-N-phenylpropanamide

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

3237-0163

Molecular Formula

C18H15NO2S (C18 H15 NO2 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(N(/C=C1\Sc(cccc2)c2C1=O)c1ccccc1)=O

InChI

InChI=1S/C18H15NO2S/c1-2-17(20)19(13-8-4-3-5-9-13)12-16-18(21)14-10-6-7-11-15(14)22-16/h3-12H,2H2,1H3

InChI Key

DVNHYFMSDOLFOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01945081

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.39

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

3.207

Distribution Coefficient, logD

3.207

Water Solubility, LogSw

-3.64

Polar Surface Area

29.377

Acid Dissociation Constant (pKa)

21.14

Base Dissociation Constant (pKb)

-1.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

3237-0163 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 3237-0163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3237-0163?
Check Price and Availability of 3237-0163, 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 3237-0163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3237-0163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3237-0163
  • 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 3237-0163 available by request