G025-0081 Screening compound: 2-(4-{[4-(2-pyridyl)piperazino]carbonyl}phenyl)tetrahydro-1H-1lambda~6~-isothiazole-1,1-dione

G025-0081 Screening compound: 2-(4-{[4-(2-pyridyl)piperazino]carbonyl}phenyl)tetrahydro-1H-1lambda~6~-isothiazole-1,1-dione
G025-0081 Screening compound: 2-(4-{[4-(2-pyridyl)piperazino]carbonyl}phenyl)tetrahydro-1H-1lambda~6~-isothiazole-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G025-0081
2-(4-{[4-(2-pyridyl)piperazino]carbonyl}phenyl)tetrahydro-1H-1lambda~6~-isothiazole-1,1-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

G025-0081

Molecular Formula

C19H22N4O3S (C19 H22 N4 O3 S)

Compound Name

2-(4-{[4-(2-pyridyl)piperazino]carbonyl}phenyl)tetrahydro-1H-1lambda~6~-isothiazole-1,1-dione

IUPAC name

2-{4-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}-1lambda62-thiazolidine-11-dione

SMILES

O=C(c(cc1)ccc1N(CCC1)S1(=O)=O)N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C19H22N4O3S/c24-19(22-13-11-21(12-14-22)18-4-1-2-9-20-18)16-5-7-17(8-6-16)23-10-3-15-27(23,25)26/h1-2,4-9H,3,10-15H2

InChI Key

BRBHDUGKHQRWLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07656025

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.377

Distribution Coefficient, logD

1.368

Water Solubility, LogSw

-2.08

Polar Surface Area

60.694

Acid Dissociation Constant (pKa)

21.19

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.84

G025-0081 in Drug Discovery

Included in Screening Libraries

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

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G025-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G025-0081?
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What is the minimum amount of G025-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G025-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G025-0081
  • 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 G025-0081 available by request