K248-0022 Screening compound: 2-{4-[(4-phenylpiperazino)carbonyl]anilino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione

K248-0022 Screening compound: 2-{4-[(4-phenylpiperazino)carbonyl]anilino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
K248-0022 Screening compound: 2-{4-[(4-phenylpiperazino)carbonyl]anilino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K248-0022
2-{4-[(4-phenylpiperazino)carbonyl]anilino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione

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

K248-0022

Molecular Formula

C22H24N4O3S2 (C22 H24 N4 O3 S2)

Compound Name

2-{4-[(4-phenylpiperazino)carbonyl]anilino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione

IUPAC name

2-{[4-(4-phenylpiperazine-1-carbonyl)phenyl]amino}-3aH4H6H6aH-5lambda6-thieno[34-d][13]thiazole-55-dione

SMILES

O=C(c(cc1)ccc1NC1=NC(CS(C2)(=O)=O)C2S1)N(CC1)CCN1c1ccccc1

InChI

InChI=1S/C22H24N4O3S2/c27-21(26-12-10-25(11-13-26)18-4-2-1-3-5-18)16-6-8-17(9-7-16)23-22-24-19-14-31(28,29)15-20(19)30-22/h1-9,19-20H,10-15H2,(H,23,24)

InChI Key

NOAGRCLNIVSRSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04444924

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.153

Distribution Coefficient, logD

2.153

Water Solubility, LogSw

-2.78

Polar Surface Area

67.250

Acid Dissociation Constant (pKa)

13.16

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.40

K248-0022 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

GPCR Targeted Library (31838 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
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 K248-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K248-0022?
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What is the minimum amount of K248-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K248-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K248-0022
  • 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 K248-0022 available by request