1690-0044 Screening compound: (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-2,3-dihydro-1-benzothiophen-3-one

1690-0044 Screening compound: (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-2,3-dihydro-1-benzothiophen-3-one
1690-0044 Screening compound: (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-2,3-dihydro-1-benzothiophen-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1690-0044
(2Z)-2-[(3,4-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

1690-0044

Molecular Formula

C17H14O3S (C17 H14 O3 S)

Compound Name

(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-2,3-dihydro-1-benzothiophen-3-one

IUPAC name

(2Z)-2-[(34-dimethoxyphenyl)methylidene]-23-dihydro-1-benzothiophen-3-one

SMILES

COc(ccc(/C=C1\Sc(cccc2)c2C1=O)c1)c1OC

InChI

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

InChI Key

KBGWHBAADBRVPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00411019

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

3.509

Distribution Coefficient, logD

3.509

Water Solubility, LogSw

-3.91

Polar Surface Area

28.661

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

1690-0044 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 1690-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1690-0044?
Check Price and Availability of 1690-0044, 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 1690-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1690-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1690-0044
  • 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 1690-0044 available by request