F556-0107 Screening compound: 1-[4-(1,2-benzisothiazol-3-ylcarbonyl)piperazino]-2-(4-methoxyphenoxy)-1-ethanone

F556-0107 Screening compound: 1-[4-(1,2-benzisothiazol-3-ylcarbonyl)piperazino]-2-(4-methoxyphenoxy)-1-ethanone
F556-0107 Screening compound: 1-[4-(1,2-benzisothiazol-3-ylcarbonyl)piperazino]-2-(4-methoxyphenoxy)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound F556-0107
1-[4-(1,2-benzisothiazol-3-ylcarbonyl)piperazino]-2-(4-methoxyphenoxy)-1-ethanone

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

F556-0107

Molecular Formula

C21H21N3O4S (C21 H21 N3 O4 S)

Compound Name

1-[4-(1,2-benzisothiazol-3-ylcarbonyl)piperazino]-2-(4-methoxyphenoxy)-1-ethanone

IUPAC name

1-[4-(12-benzothiazole-3-carbonyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethan-1-one

SMILES

COc(cc1)ccc1OCC(N(CC1)CCN1C(c1nsc2c1cccc2)=O)=O

InChI

InChI=1S/C21H21N3O4S/c1-27-15-6-8-16(9-7-15)28-14-19(25)23-10-12-24(13-11-23)21(26)20-17-4-2-3-5-18(17)29-22-20/h2-9H,10-14H2,1H3

InChI Key

DSNRISHWVYYQLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14958821

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.429

Distribution Coefficient, logD

2.429

Water Solubility, LogSw

-2.53

Polar Surface Area

58.849

Acid Dissociation Constant (pKa)

25.23

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

F556-0107 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with F556-0107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F556-0107?
Check Price and Availability of F556-0107, 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 F556-0107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F556-0107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F556-0107
  • 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 F556-0107 available by request