7641-0022 Screening compound: 4-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]-N~1~-propyl-1-benzenesulfonamide

7641-0022 Screening compound: 4-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]-N~1~-propyl-1-benzenesulfonamide
7641-0022 Screening compound: 4-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]-N~1~-propyl-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7641-0022
4-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]-N~1~-propyl-1-benzenesulfonamide

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

7641-0022

Molecular Formula

C16H17N3O4S2 (C16 H17 N3 O4 S2)

Compound Name

4-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]-N~1~-propyl-1-benzenesulfonamide

IUPAC name

4-[(11-dioxo-1lambda62-benzothiazol-3-yl)amino]-N-propylbenzene-1-sulfonamide

SMILES

CCCNS(c(cc1)ccc1NC(c1c2cccc1)=NS2(=O)=O)(=O)=O

InChI

InChI=1S/C16H17N3O4S2/c1-2-11-17-24(20,21)13-9-7-12(8-10-13)18-16-14-5-3-4-6-15(14)25(22,23)19-16/h3-10,17H,2,11H2,1H3,(H,18,19)

InChI Key

VSWSACLISHAWCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06630207

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.407

Distribution Coefficient, logD

1.823

Water Solubility, LogSw

-3.01

Polar Surface Area

92.716

Acid Dissociation Constant (pKa)

6.95

Base Dissociation Constant (pKb)

-2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

7641-0022 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Cardiovascular Library (22201 compounds)

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 7641-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7641-0022?
Check Price and Availability of 7641-0022, 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 7641-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7641-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7641-0022
  • 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 7641-0022 available by request