C249-0035 Screening compound: (2Z,4Z)-2,4-bis[(3-methylphenyl)methylidene]thiolan-3-one

C249-0035 Screening compound: (2Z,4Z)-2,4-bis[(3-methylphenyl)methylidene]thiolan-3-one
C249-0035 Screening compound: (2Z,4Z)-2,4-bis[(3-methylphenyl)methylidene]thiolan-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C249-0035
(2Z,4Z)-2,4-bis[(3-methylphenyl)methylidene]thiolan-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

C249-0035

Molecular Formula

C20H18OS (C20 H18 OS)

Compound Name

(2Z,4Z)-2,4-bis[(3-methylphenyl)methylidene]thiolan-3-one

IUPAC name

(2Z4Z)-24-bis[(3-methylphenyl)methylidene]thiolan-3-one

SMILES

Cc1cccc(/C=C(\CS/C2=C\c3cc(C)ccc3)/C2=O)c1

InChI

InChI=1S/C20H18OS/c1-14-5-3-7-16(9-14)11-18-13-22-19(20(18)21)12-17-8-4-6-15(2)10-17/h3-12H,13H2,1-2H3

InChI Key

FTTVEJUDKAEMHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03829608

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

5.606

Distribution Coefficient, logD

5.606

Water Solubility, LogSw

-5.43

Polar Surface Area

13.400

Acid Dissociation Constant (pKa)

26.91

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

C249-0035 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C249-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C249-0035?
Check Price and Availability of C249-0035, 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 C249-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C249-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C249-0035
  • 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 C249-0035 available by request