3230-1298 Screening compound: (2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-2,3-dihydro-1-benzothiophen-3-one

3230-1298 Screening compound: (2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-2,3-dihydro-1-benzothiophen-3-one
3230-1298 Screening compound: (2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-2,3-dihydro-1-benzothiophen-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3230-1298
(2Z)-2-[(4-hydroxy-3-methoxyphenyl)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

3230-1298

Molecular Formula

C16H12O3S (C16 H12 O3 S)

Compound Name

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

IUPAC name

(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-23-dihydro-1-benzothiophen-3-one

SMILES

COc(cc(/C=C1\Sc(cccc2)c2C1=O)cc1)c1O

InChI

InChI=1S/C16H12O3S/c1-19-13-8-10(6-7-12(13)17)9-15-16(18)11-4-2-3-5-14(11)20-15/h2-9,17H,1H3

InChI Key

FKOQCLIJNODUAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00421215

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.092

Distribution Coefficient, logD

3.087

Water Solubility, LogSw

-3.29

Polar Surface Area

37.578

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

3230-1298 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antimitotic Tubulin Library (17355 compounds)

Human Kinases Annotated Library (2415 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3230-1298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3230-1298?
Check Price and Availability of 3230-1298, 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 3230-1298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3230-1298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3230-1298
  • 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 3230-1298 available by request