F556-0019 Screening compound: 1,2-benzisothiazol-3-yl[4-(2-furylcarbonyl)piperazino]methanone

F556-0019 Screening compound: 1,2-benzisothiazol-3-yl[4-(2-furylcarbonyl)piperazino]methanone
F556-0019 Screening compound: 1,2-benzisothiazol-3-yl[4-(2-furylcarbonyl)piperazino]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound F556-0019
1,2-benzisothiazol-3-yl[4-(2-furylcarbonyl)piperazino]methanone

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

F556-0019

Molecular Formula

C17H15N3O3S (C17 H15 N3 O3 S)

Compound Name

1,2-benzisothiazol-3-yl[4-(2-furylcarbonyl)piperazino]methanone

IUPAC name

3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-12-benzothiazole

SMILES

O=C(c1ccco1)N(CC1)CCN1C(c1nsc2c1cccc2)=O

InChI

InChI=1S/C17H15N3O3S/c21-16(13-5-3-11-23-13)19-7-9-20(10-8-19)17(22)15-12-4-1-2-6-14(12)24-18-15/h1-6,11H,7-10H2

InChI Key

KHGXYQSGRGHIIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14958799

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.082

Distribution Coefficient, logD

2.082

Water Solubility, LogSw

-2.50

Polar Surface Area

52.912

Acid Dissociation Constant (pKa)

29.43

Base Dissociation Constant (pKb)

-3.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.53

F556-0019 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with F556-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F556-0019?
Check Price and Availability of F556-0019, 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 F556-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F556-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F556-0019
  • 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 F556-0019 available by request