D473-1559 Screening compound: 2-{3-[(4-phenylpiperazino)carbonyl]phenyl}dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione

D473-1559 Screening compound: 2-{3-[(4-phenylpiperazino)carbonyl]phenyl}dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione
D473-1559 Screening compound: 2-{3-[(4-phenylpiperazino)carbonyl]phenyl}dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound D473-1559
2-{3-[(4-phenylpiperazino)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

D473-1559

Molecular Formula

C20H21N3O4S (C20 H21 N3 O4 S)

Compound Name

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

IUPAC name

2-[3-(4-phenylpiperazine-1-carbonyl)phenyl]-1lambda62-thiazolidine-113-trione

SMILES

O=C(c1cccc(N(C(CC2)=O)S2(=O)=O)c1)N(CC1)CCN1c1ccccc1

InChI

InChI=1S/C20H21N3O4S/c24-19-9-14-28(26,27)23(19)18-8-4-5-16(15-18)20(25)22-12-10-21(11-13-22)17-6-2-1-3-7-17/h1-8,15H,9-14H2

InChI Key

XYAQCUUGVHSITO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12922176

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.47

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

1.022

Distribution Coefficient, logD

1.022

Water Solubility, LogSw

-2.28

Polar Surface Area

65.564

Acid Dissociation Constant (pKa)

16.32

Base Dissociation Constant (pKb)

5.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

D473-1559 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 D473-1559 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D473-1559?
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What is the minimum amount of D473-1559 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D473-1559
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D473-1559
  • 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 D473-1559 available by request