D473-1584 Screening compound: 2-(3-{[4-(2-pyridyl)piperazino]carbonyl}phenyl)dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione

D473-1584 Screening compound: 2-(3-{[4-(2-pyridyl)piperazino]carbonyl}phenyl)dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione
D473-1584 Screening compound: 2-(3-{[4-(2-pyridyl)piperazino]carbonyl}phenyl)dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound D473-1584
2-(3-{[4-(2-pyridyl)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

D473-1584

Molecular Formula

C19H20N4O4S (C19 H20 N4 O4 S)

Compound Name

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

IUPAC name

2-{3-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}-1lambda62-thiazolidine-113-trione

SMILES

O=C(c1cccc(N(C(CC2)=O)S2(=O)=O)c1)N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C19H20N4O4S/c24-18-7-13-28(26,27)23(18)16-5-3-4-15(14-16)19(25)22-11-9-21(10-12-22)17-6-1-2-8-20-17/h1-6,8,14H,7,9-13H2

InChI Key

XLVFTKFQJZEHSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10089952

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.689

Distribution Coefficient, logD

0.680

Water Solubility, LogSw

-2.01

Polar Surface Area

74.075

Acid Dissociation Constant (pKa)

16.32

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

D473-1584 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D473-1584 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D473-1584?
Check Price and Availability of D473-1584, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D473-1584 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D473-1584
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D473-1584
  • 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 D473-1584 available by request