D473-1585 Screening compound: 2-(3-{[4-(2-pyrimidinyl)piperazino]carbonyl}phenyl)dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione

D473-1585 Screening compound: 2-(3-{[4-(2-pyrimidinyl)piperazino]carbonyl}phenyl)dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione
D473-1585 Screening compound: 2-(3-{[4-(2-pyrimidinyl)piperazino]carbonyl}phenyl)dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound D473-1585
2-(3-{[4-(2-pyrimidinyl)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

D473-1585

Molecular Formula

C18H19N5O4S (C18 H19 N5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1cccc(N(C(CC2)=O)S2(=O)=O)c1)N(CC1)CCN1c1ncccn1

InChI

InChI=1S/C18H19N5O4S/c24-16-5-12-28(26,27)23(16)15-4-1-3-14(13-15)17(25)21-8-10-22(11-9-21)18-19-6-2-7-20-18/h1-4,6-7,13H,5,8-12H2

InChI Key

YIASQLLIYTZUBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12922182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.186

Distribution Coefficient, logD

0.186

Water Solubility, LogSw

-1.96

Polar Surface Area

83.926

Acid Dissociation Constant (pKa)

16.32

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D473-1585 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 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 D473-1585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D473-1585?
Check Price and Availability of D473-1585, 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 D473-1585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D473-1585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D473-1585
  • 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 D473-1585 available by request