F556-0022 Screening compound: 1-[4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethan-1-one

F556-0022 Screening compound: 1-[4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethan-1-one
F556-0022 Screening compound: 1-[4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F556-0022
1-[4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethan-1-one

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

F556-0022

Molecular Formula

C21H21N3O3S (C21 H21 N3 O3 S)

Compound Name

1-[4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethan-1-one

IUPAC name

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

SMILES

COc1ccc(CC(N(CC2)CCN2C(c2nsc3c2cccc3)=O)=O)cc1

InChI

InChI=1S/C21H21N3O3S/c1-27-16-8-6-15(7-9-16)14-19(25)23-10-12-24(13-11-23)21(26)20-17-4-2-3-5-18(17)28-22-20/h2-9H,10-14H2,1H3

InChI Key

MYAUFIVSVQEFOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14958801

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.927

Distribution Coefficient, logD

2.927

Water Solubility, LogSw

-3.10

Polar Surface Area

51.350

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

-2.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

F556-0022 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F556-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F556-0022?
Check Price and Availability of F556-0022, 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 F556-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F556-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F556-0022
  • 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 F556-0022 available by request