4578-0401 Screening compound: (2E)-3-(2H-chromen-3-yl)-2-(4-methylbenzenesulfonyl)prop-2-enenitrile

4578-0401 Screening compound: (2E)-3-(2H-chromen-3-yl)-2-(4-methylbenzenesulfonyl)prop-2-enenitrile
4578-0401 Screening compound: (2E)-3-(2H-chromen-3-yl)-2-(4-methylbenzenesulfonyl)prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4578-0401
(2E)-3-(2H-chromen-3-yl)-2-(4-methylbenzenesulfonyl)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

4578-0401

Molecular Formula

C19H15NO3S (C19 H15 NO3 S)

Compound Name

(2E)-3-(2H-chromen-3-yl)-2-(4-methylbenzenesulfonyl)prop-2-enenitrile

IUPAC name

(2E)-3-(2H-chromen-3-yl)-2-(4-methylbenzenesulfonyl)prop-2-enenitrile

SMILES

Cc(cc1)ccc1S(/C(/C#N)=C/C1=Cc(cccc2)c2OC1)(=O)=O

InChI

InChI=1S/C19H15NO3S/c1-14-6-8-17(9-7-14)24(21,22)18(12-20)11-15-10-16-4-2-3-5-19(16)23-13-15/h2-11H,13H2,1H3

InChI Key

BJSSLTWRIWRNHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03226111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.172

Distribution Coefficient, logD

4.172

Water Solubility, LogSw

-4.34

Polar Surface Area

55.165

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-6.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

4578-0401 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 4578-0401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4578-0401?
Check Price and Availability of 4578-0401, 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 4578-0401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4578-0401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4578-0401
  • 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 4578-0401 available by request