D473-1741 Screening compound: 4,4-dimethyl-2-(3-{[4-(3-methylphenyl)piperazino]carbonyl}phenyl)dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione

D473-1741 Screening compound: 4,4-dimethyl-2-(3-{[4-(3-methylphenyl)piperazino]carbonyl}phenyl)dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione
D473-1741 Screening compound: 4,4-dimethyl-2-(3-{[4-(3-methylphenyl)piperazino]carbonyl}phenyl)dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound D473-1741
4,4-dimethyl-2-(3-{[4-(3-methylphenyl)piperazino]carbonyl}phenyl)dihydro-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

D473-1741

Molecular Formula

C23H27N3O4S (C23 H27 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(CS(N1c2cc(C(N(CC3)CCN3c3cc(C)ccc3)=O)ccc2)(=O)=O)C1=O

InChI

InChI=1S/C23H27N3O4S/c1-17-6-4-8-19(14-17)24-10-12-25(13-11-24)21(27)18-7-5-9-20(15-18)26-22(28)23(2,3)16-31(26,29)30/h4-9,14-15H,10-13,16H2,1-3H3

InChI Key

CKVGIHIRDDUXPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10090073

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.55

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

2.781

Distribution Coefficient, logD

2.781

Water Solubility, LogSw

-3.12

Polar Surface Area

65.286

Acid Dissociation Constant (pKa)

22.10

Base Dissociation Constant (pKb)

2.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

References: we are preparing a list of scientific research reports with D473-1741 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D473-1741?
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What is the minimum amount of D473-1741 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D473-1741
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D473-1741
  • 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 D473-1741 available by request