ZE09-1379 Screening compound: 1-[4-(1,2-benzisothiazol-3-yl)piperazino]-2-chloro-1-propanone

ZE09-1379 Screening compound: 1-[4-(1,2-benzisothiazol-3-yl)piperazino]-2-chloro-1-propanone
ZE09-1379 Screening compound: 1-[4-(1,2-benzisothiazol-3-yl)piperazino]-2-chloro-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound ZE09-1379
1-[4-(1,2-benzisothiazol-3-yl)piperazino]-2-chloro-1-propanone

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

ZE09-1379

Molecular Formula

C14H16ClN3OS (C14 H16 ClN3 OS)

Compound Name

1-[4-(1,2-benzisothiazol-3-yl)piperazino]-2-chloro-1-propanone

IUPAC name

1-[4-(12-benzothiazol-3-yl)piperazin-1-yl]-2-chloropropan-1-one

SMILES

CC(C(N(CC1)CCN1c1nsc2c1cccc2)=O)Cl

InChI

InChI=1S/C14H16ClN3OS/c1-10(15)14(19)18-8-6-17(7-9-18)13-11-4-2-3-5-12(11)20-16-13/h2-5,10H,6-9H2,1H3/t10-/m0/s1

InChI Key

APEGCLDORUVQAP-JTQLQIEISA-N

MDL Number (MFCD)

MFCD32262974

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.82

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.270

Distribution Coefficient, logD

3.270

Water Solubility, LogSw

-3.34

Polar Surface Area

30.572

Acid Dissociation Constant (pKa)

19.60

Base Dissociation Constant (pKb)

1.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

ZE09-1379 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Covalent Fragments Smart Library (839 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with ZE09-1379 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound ZE09-1379?
Check Price and Availability of ZE09-1379, 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 ZE09-1379 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for ZE09-1379
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for ZE09-1379
  • 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 ZE09-1379 available by request