1187-0860 Screening compound: N-[2,2-dichloro-1-(4-methylbenzenesulfonyl)ethenyl]benzamide

1187-0860 Screening compound: N-[2,2-dichloro-1-(4-methylbenzenesulfonyl)ethenyl]benzamide
1187-0860 Screening compound: N-[2,2-dichloro-1-(4-methylbenzenesulfonyl)ethenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1187-0860
N-[2,2-dichloro-1-(4-methylbenzenesulfonyl)ethenyl]benzamide

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

1187-0860

Molecular Formula

C16H13Cl2NO3S (C16 H13 Cl2 NO3 S)

Compound Name

N-[2,2-dichloro-1-(4-methylbenzenesulfonyl)ethenyl]benzamide

IUPAC name

N-[22-dichloro-1-(4-methylbenzenesulfonyl)ethenyl]benzamide

SMILES

Cc(cc1)ccc1S(C(NC(c1ccccc1)=O)=C(Cl)Cl)(=O)=O

InChI

InChI=1S/C16H13Cl2NO3S/c1-11-7-9-13(10-8-11)23(21,22)16(14(17)18)19-15(20)12-5-3-2-4-6-12/h2-10H,1H3,(H,19,20)

InChI Key

NOOZHIIEVBTHDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00182766

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.26

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.090

Distribution Coefficient, logD

2.110

Water Solubility, LogSw

-4.50

Polar Surface Area

54.628

Acid Dissociation Constant (pKa)

5.42

Base Dissociation Constant (pKb)

-3.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

1187-0860 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 1187-0860 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1187-0860?
Check Price and Availability of 1187-0860, 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 1187-0860 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1187-0860
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1187-0860
  • 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 1187-0860 available by request