K781-2448 Screening compound: [2-fluoro-5-(morpholinosulfonyl)phenyl][4-(4-methoxyphenyl)piperazino]methanone

K781-2448 Screening compound: [2-fluoro-5-(morpholinosulfonyl)phenyl][4-(4-methoxyphenyl)piperazino]methanone
K781-2448 Screening compound: [2-fluoro-5-(morpholinosulfonyl)phenyl][4-(4-methoxyphenyl)piperazino]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-2448
[2-fluoro-5-(morpholinosulfonyl)phenyl][4-(4-methoxyphenyl)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

K781-2448

Molecular Formula

C22H26FN3O5S (C22 H26 FN3 O5 S)

Compound Name

[2-fluoro-5-(morpholinosulfonyl)phenyl][4-(4-methoxyphenyl)piperazino]methanone

IUPAC name

4-{4-fluoro-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]benzenesulfonyl}morpholine

SMILES

COc(cc1)ccc1N(CC1)CCN1C(c(cc(cc1)S(N2CCOCC2)(=O)=O)c1F)=O

InChI

InChI=1S/C22H26FN3O5S/c1-30-18-4-2-17(3-5-18)24-8-10-25(11-9-24)22(27)20-16-19(6-7-21(20)23)32(28,29)26-12-14-31-15-13-26/h2-7,16H,8-15H2,1H3

InChI Key

IZHCMLSLXCSPQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15094018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.423

Distribution Coefficient, logD

2.423

Water Solubility, LogSw

-2.96

Polar Surface Area

67.310

Acid Dissociation Constant (pKa)

28.39

Base Dissociation Constant (pKb)

2.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.91

K781-2448 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K781-2448 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-2448?
Check Price and Availability of K781-2448, 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 K781-2448 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-2448
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-2448
  • 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 K781-2448 available by request