G025-0209 Screening compound: 2-{3-[(4-phenylpiperazino)carbonyl]phenyl}tetrahydro-1H-1lambda~6~-isothiazole-1,1-dione

G025-0209 Screening compound: 2-{3-[(4-phenylpiperazino)carbonyl]phenyl}tetrahydro-1H-1lambda~6~-isothiazole-1,1-dione
G025-0209 Screening compound: 2-{3-[(4-phenylpiperazino)carbonyl]phenyl}tetrahydro-1H-1lambda~6~-isothiazole-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G025-0209
2-{3-[(4-phenylpiperazino)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

G025-0209

Molecular Formula

C20H23N3O3S (C20 H23 N3 O3 S)

Compound Name

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

IUPAC name

2-[3-(4-phenylpiperazine-1-carbonyl)phenyl]-1lambda62-thiazolidine-11-dione

SMILES

O=C(c1cccc(N(CCC2)S2(=O)=O)c1)N(CC1)CCN1c1ccccc1

InChI

InChI=1S/C20H23N3O3S/c24-20(22-13-11-21(12-14-22)18-7-2-1-3-8-18)17-6-4-9-19(16-17)23-10-5-15-27(23,25)26/h1-4,6-9,16H,5,10-15H2

InChI Key

HQVBVQKRBATPCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08141055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.709

Distribution Coefficient, logD

1.709

Water Solubility, LogSw

-2.35

Polar Surface Area

52.183

Acid Dissociation Constant (pKa)

21.19

Base Dissociation Constant (pKb)

5.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

G025-0209 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with G025-0209 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G025-0209?
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What is the minimum amount of G025-0209 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G025-0209
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G025-0209
  • 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 G025-0209 available by request