G025-0223 Screening compound: 2-(3-{[4-(4-acetylphenyl)piperazino]carbonyl}phenyl)tetrahydro-1H-1lambda~6~-isothiazole-1,1-dione

G025-0223 Screening compound: 2-(3-{[4-(4-acetylphenyl)piperazino]carbonyl}phenyl)tetrahydro-1H-1lambda~6~-isothiazole-1,1-dione
G025-0223 Screening compound: 2-(3-{[4-(4-acetylphenyl)piperazino]carbonyl}phenyl)tetrahydro-1H-1lambda~6~-isothiazole-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G025-0223
2-(3-{[4-(4-acetylphenyl)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

G025-0223

Molecular Formula

C22H25N3O4S (C22 H25 N3 O4 S)

Compound Name

2-(3-{[4-(4-acetylphenyl)piperazino]carbonyl}phenyl)tetrahydro-1H-1lambda~6~-isothiazole-1,1-dione

IUPAC name

2-{3-[4-(4-acetylphenyl)piperazine-1-carbonyl]phenyl}-1lambda62-thiazolidine-11-dione

SMILES

CC(c(cc1)ccc1N(CC1)CCN1C(c1cccc(N(CCC2)S2(=O)=O)c1)=O)=O

InChI

InChI=1S/C22H25N3O4S/c1-17(26)18-6-8-20(9-7-18)23-11-13-24(14-12-23)22(27)19-4-2-5-21(16-19)25-10-3-15-30(25,28)29/h2,4-9,16H,3,10-15H2,1H3

InChI Key

AYVDBFJEBNWDER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08141058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.373

Distribution Coefficient, logD

1.373

Water Solubility, LogSw

-2.26

Polar Surface Area

66.009

Acid Dissociation Constant (pKa)

21.19

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

G025-0223 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with G025-0223 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G025-0223?
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What is the minimum amount of G025-0223 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G025-0223
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G025-0223
  • 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 G025-0223 available by request