3174-1065 Screening compound: (2Z)-2-[(2,5-dimethoxyphenyl)methylidene]-2,3-dihydro-1-benzothiophen-3-one

3174-1065 Screening compound: (2Z)-2-[(2,5-dimethoxyphenyl)methylidene]-2,3-dihydro-1-benzothiophen-3-one
3174-1065 Screening compound: (2Z)-2-[(2,5-dimethoxyphenyl)methylidene]-2,3-dihydro-1-benzothiophen-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3174-1065
(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]-2,3-dihydro-1-benzothiophen-3-one

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

3174-1065

Molecular Formula

C17H14O3S (C17 H14 O3 S)

Compound Name

(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]-2,3-dihydro-1-benzothiophen-3-one

IUPAC name

(2Z)-2-[(25-dimethoxyphenyl)methylidene]-23-dihydro-1-benzothiophen-3-one

SMILES

COc(cc1)cc(/C=C2\Sc(cccc3)c3C2=O)c1OC

InChI

InChI=1S/C17H14O3S/c1-19-12-7-8-14(20-2)11(9-12)10-16-17(18)13-5-3-4-6-15(13)21-16/h3-10H,1-2H3

InChI Key

KMVGJYZITLCUSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00853007

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.147

Distribution Coefficient, logD

4.147

Water Solubility, LogSw

-4.48

Polar Surface Area

28.574

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

3174-1065 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 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 3174-1065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3174-1065?
Check Price and Availability of 3174-1065, 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 3174-1065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3174-1065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3174-1065
  • 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 3174-1065 available by request