5539-0058 Screening compound: 4-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]phenyl 4-(piperidinosulfonyl)benzoate

5539-0058 Screening compound: 4-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]phenyl 4-(piperidinosulfonyl)benzoate
5539-0058 Screening compound: 4-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]phenyl 4-(piperidinosulfonyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5539-0058
4-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]phenyl 4-(piperidinosulfonyl)benzoate

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

5539-0058

Molecular Formula

C25H23N3O6S2 (C25 H23 N3 O6 S2)

Compound Name

4-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]phenyl 4-(piperidinosulfonyl)benzoate

IUPAC name

4-[(11-dioxo-1lambda62-benzothiazol-3-yl)amino]phenyl 4-(piperidine-1-sulfonyl)benzoate

SMILES

O=C(c(cc1)ccc1S(N1CCCCC1)(=O)=O)Oc(cc1)ccc1NC(c1c2cccc1)=NS2(=O)=O

InChI

InChI=1S/C25H23N3O6S2/c29-25(18-8-14-21(15-9-18)36(32,33)28-16-4-1-5-17-28)34-20-12-10-19(11-13-20)26-24-22-6-2-3-7-23(22)35(30,31)27-24/h2-3,6-15H,1,4-5,16-17H2,(H,26,27)

InChI Key

OEAMHSJYHYPJLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05150199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.61

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.442

Distribution Coefficient, logD

3.432

Water Solubility, LogSw

-3.95

Polar Surface Area

102.933

Acid Dissociation Constant (pKa)

9.03

Base Dissociation Constant (pKb)

-2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

5539-0058 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 5539-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5539-0058?
Check Price and Availability of 5539-0058, 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 5539-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5539-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5539-0058
  • 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 5539-0058 available by request