3237-0193 Screening compound: 3-chloro-N-(4-methoxyphenyl)-N-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}benzamide

3237-0193 Screening compound: 3-chloro-N-(4-methoxyphenyl)-N-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}benzamide
3237-0193 Screening compound: 3-chloro-N-(4-methoxyphenyl)-N-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3237-0193
3-chloro-N-(4-methoxyphenyl)-N-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}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

3237-0193

Molecular Formula

C23H16ClNO3S (C23 H16 ClNO3 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1N(/C=C1\Sc(cccc2)c2C1=O)C(c1cccc(Cl)c1)=O

InChI

InChI=1S/C23H16ClNO3S/c1-28-18-11-9-17(10-12-18)25(23(27)15-5-4-6-16(24)13-15)14-21-22(26)19-7-2-3-8-20(19)29-21/h2-14H,1H3

InChI Key

XLVDXSREVDJZQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01957888

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.788

Distribution Coefficient, logD

4.788

Water Solubility, LogSw

-4.92

Polar Surface Area

37.176

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

3237-0193 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 3237-0193 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3237-0193?
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What is the minimum amount of 3237-0193 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3237-0193
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3237-0193
  • 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 3237-0193 available by request