3242-0015 Screening compound: 3-[4-(4-chlorobenzoyl)piperazino]-1H-1,2-benzisothiazole-1,1-dione

3242-0015 Screening compound: 3-[4-(4-chlorobenzoyl)piperazino]-1H-1,2-benzisothiazole-1,1-dione
3242-0015 Screening compound: 3-[4-(4-chlorobenzoyl)piperazino]-1H-1,2-benzisothiazole-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3242-0015
3-[4-(4-chlorobenzoyl)piperazino]-1H-1,2-benzisothiazole-1,1-dione

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

3242-0015

Molecular Formula

C18H16ClN3O3S (C18 H16 ClN3 O3 S)

Compound Name

3-[4-(4-chlorobenzoyl)piperazino]-1H-1,2-benzisothiazole-1,1-dione

IUPAC name

3-[4-(4-chlorobenzoyl)piperazin-1-yl]-1lambda62-benzothiazole-11-dione

SMILES

O=C(c(cc1)ccc1Cl)N(CC1)CCN1C(c1c2cccc1)=NS2(=O)=O

InChI

InChI=1S/C18H16ClN3O3S/c19-14-7-5-13(6-8-14)18(23)22-11-9-21(10-12-22)17-15-3-1-2-4-16(15)26(24,25)20-17/h1-8H,9-12H2

InChI Key

NDNWBFDYEKFUJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02049752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.181

Distribution Coefficient, logD

2.181

Water Solubility, LogSw

-3.20

Polar Surface Area

59.586

Acid Dissociation Constant (pKa)

28.95

Base Dissociation Constant (pKb)

-3.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

3242-0015 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 3242-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3242-0015?
Check Price and Availability of 3242-0015, 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 3242-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3242-0015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3242-0015
  • 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 3242-0015 available by request