D473-1141 Screening compound: 2-(4-{[4-(1,3-benzodioxol-5-ylmethyl)piperazino]carbonyl}phenyl)-4,4-dimethyldihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione

D473-1141 Screening compound: 2-(4-{[4-(1,3-benzodioxol-5-ylmethyl)piperazino]carbonyl}phenyl)-4,4-dimethyldihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione
D473-1141 Screening compound: 2-(4-{[4-(1,3-benzodioxol-5-ylmethyl)piperazino]carbonyl}phenyl)-4,4-dimethyldihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound D473-1141
2-(4-{[4-(1,3-benzodioxol-5-ylmethyl)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

D473-1141

Molecular Formula

C24H27N3O6S (C24 H27 N3 O6 S)

Compound Name

2-(4-{[4-(1,3-benzodioxol-5-ylmethyl)piperazino]carbonyl}phenyl)-4,4-dimethyldihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione

IUPAC name

2-(4-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)-44-dimethyl-1lambda62-thiazolidine-113-trione

SMILES

CC(C)(CS(N1c(cc2)ccc2C(N2CCN(Cc(cc3)cc4c3OCO4)CC2)=O)(=O)=O)C1=O

InChI

InChI=1S/C24H27N3O6S/c1-24(2)15-34(30,31)27(23(24)29)19-6-4-18(5-7-19)22(28)26-11-9-25(10-12-26)14-17-3-8-20-21(13-17)33-16-32-20/h3-8,13H,9-12,14-16H2,1-2H3

InChI Key

MOVJZXFZHUFDLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10089583

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.56

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.882

Distribution Coefficient, logD

1.691

Water Solubility, LogSw

-2.71

Polar Surface Area

82.682

Acid Dissociation Constant (pKa)

22.10

Base Dissociation Constant (pKb)

7.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

D473-1141 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 D473-1141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D473-1141?
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What is the minimum amount of D473-1141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D473-1141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D473-1141
  • 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 D473-1141 available by request