D473-1744 Screening compound: 2-(3-{[4-(3-chlorophenyl)piperazino]carbonyl}phenyl)-4,4-dimethyldihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione

D473-1744 Screening compound: 2-(3-{[4-(3-chlorophenyl)piperazino]carbonyl}phenyl)-4,4-dimethyldihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione
D473-1744 Screening compound: 2-(3-{[4-(3-chlorophenyl)piperazino]carbonyl}phenyl)-4,4-dimethyldihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound D473-1744
2-(3-{[4-(3-chlorophenyl)piperazino]carbonyl}phenyl)-4,4-dimethyldihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione

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

D473-1744

Molecular Formula

C22H24ClN3O4S (C22 H24 ClN3 O4 S)

Compound Name

2-(3-{[4-(3-chlorophenyl)piperazino]carbonyl}phenyl)-4,4-dimethyldihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione

IUPAC name

2-{3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}-44-dimethyl-1lambda62-thiazolidine-113-trione

SMILES

CC(C)(CS(N1c2cccc(C(N(CC3)CCN3c3cccc(Cl)c3)=O)c2)(=O)=O)C1=O

InChI

InChI=1S/C22H24ClN3O4S/c1-22(2)15-31(29,30)26(21(22)28)19-8-3-5-16(13-19)20(27)25-11-9-24(10-12-25)18-7-4-6-17(23)14-18/h3-8,13-14H,9-12,15H2,1-2H3

InChI Key

PFQVGKHMQWXWRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10090076

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.97

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.922

Distribution Coefficient, logD

2.922

Water Solubility, LogSw

-3.45

Polar Surface Area

65.286

Acid Dissociation Constant (pKa)

22.10

Base Dissociation Constant (pKb)

4.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

D473-1744 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D473-1744 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D473-1744?
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What is the minimum amount of D473-1744 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D473-1744
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D473-1744
  • 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 D473-1744 available by request