3541-0568 Screening compound: (2E)-2-(4-methylbenzenesulfonyl)-3-(3-methylthiophen-2-yl)prop-2-enenitrile

3541-0568 Screening compound: (2E)-2-(4-methylbenzenesulfonyl)-3-(3-methylthiophen-2-yl)prop-2-enenitrile
3541-0568 Screening compound: (2E)-2-(4-methylbenzenesulfonyl)-3-(3-methylthiophen-2-yl)prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3541-0568
(2E)-2-(4-methylbenzenesulfonyl)-3-(3-methylthiophen-2-yl)prop-2-enenitrile

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

3541-0568

Molecular Formula

C15H13NO2S2 (C15 H13 NO2 S2)

Compound Name

(2E)-2-(4-methylbenzenesulfonyl)-3-(3-methylthiophen-2-yl)prop-2-enenitrile

IUPAC name

(2E)-2-(4-methylbenzenesulfonyl)-3-(3-methylthiophen-2-yl)prop-2-enenitrile

SMILES

Cc1c(/C=C(\C#N)/S(c2ccc(C)cc2)(=O)=O)scc1

InChI

InChI=1S/C15H13NO2S2/c1-11-3-5-13(6-4-11)20(17,18)14(10-16)9-15-12(2)7-8-19-15/h3-9H,1-2H3

InChI Key

SINHZJBZAVAOAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01942988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.838

Distribution Coefficient, logD

3.838

Water Solubility, LogSw

-3.90

Polar Surface Area

47.814

Acid Dissociation Constant (pKa)

28.49

Base Dissociation Constant (pKb)

-8.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

3541-0568 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

?ysteine Targeted Covalent Library (39471 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 3541-0568 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3541-0568?
Check Price and Availability of 3541-0568, 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 3541-0568 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3541-0568
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3541-0568
  • 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 3541-0568 available by request