3237-0179 Screening compound: N-(4-methoxyphenyl)-N-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}acetamide

3237-0179 Screening compound: N-(4-methoxyphenyl)-N-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}acetamide
3237-0179 Screening compound: N-(4-methoxyphenyl)-N-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3237-0179
N-(4-methoxyphenyl)-N-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}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

3237-0179

Molecular Formula

C18H15NO3S (C18 H15 NO3 S)

Compound Name

N-(4-methoxyphenyl)-N-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}acetamide

IUPAC name

N-(4-methoxyphenyl)-N-{[(2Z)-3-oxo-23-dihydro-1-benzothiophen-2-ylidene]methyl}acetamide

SMILES

CC(N(/C=C1\Sc(cccc2)c2C1=O)c(cc1)ccc1OC)=O

InChI

InChI=1S/C18H15NO3S/c1-12(20)19(13-7-9-14(22-2)10-8-13)11-17-18(21)15-5-3-4-6-16(15)23-17/h3-11H,1-2H3

InChI Key

VJWAUYXCVKTAJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01948774

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.754

Distribution Coefficient, logD

2.754

Water Solubility, LogSw

-3.46

Polar Surface Area

37.916

Acid Dissociation Constant (pKa)

21.66

Base Dissociation Constant (pKb)

0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

3237-0179 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3237-0179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3237-0179?
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What is the minimum amount of 3237-0179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3237-0179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3237-0179
  • 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 3237-0179 available by request