4940-1442 Screening compound: 4-chloro-N~1~-{3-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]propyl}benzamide

4940-1442 Screening compound: 4-chloro-N~1~-{3-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]propyl}benzamide
4940-1442 Screening compound: 4-chloro-N~1~-{3-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]propyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4940-1442
4-chloro-N~1~-{3-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]propyl}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

4940-1442

Molecular Formula

C17H16ClN3O3S (C17 H16 ClN3 O3 S)

Compound Name

4-chloro-N~1~-{3-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]propyl}benzamide

IUPAC name

4-chloro-N-{3-[(11-dioxo-1lambda62-benzothiazol-3-yl)amino]propyl}benzamide

SMILES

O=C(c(cc1)ccc1Cl)NCCCNC(c1c2cccc1)=NS2(=O)=O

InChI

InChI=1S/C17H16ClN3O3S/c18-13-8-6-12(7-9-13)17(22)20-11-3-10-19-16-14-4-1-2-5-15(14)25(23,24)21-16/h1-2,4-9H,3,10-11H2,(H,19,21)(H,20,22)

InChI Key

DIDNPEMHDKCSED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01617824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.85

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.742

Distribution Coefficient, logD

1.742

Water Solubility, LogSw

-3.15

Polar Surface Area

76.534

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

-2.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

4940-1442 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Arginase Targeted Library (2009 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
Targets:
  • Others
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4940-1442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4940-1442?
Check Price and Availability of 4940-1442, 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 4940-1442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4940-1442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4940-1442
  • 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 4940-1442 available by request