D473-0828 Screening compound: 2-(4-{[4-(2-fluorophenyl)piperazino]carbonyl}phenyl)dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione

D473-0828 Screening compound: 2-(4-{[4-(2-fluorophenyl)piperazino]carbonyl}phenyl)dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione
D473-0828 Screening compound: 2-(4-{[4-(2-fluorophenyl)piperazino]carbonyl}phenyl)dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound D473-0828
2-(4-{[4-(2-fluorophenyl)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

D473-0828

Molecular Formula

C20H20FN3O4S (C20 H20 FN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)ccc1N(C(CC1)=O)S1(=O)=O)N(CC1)CCN1c(cccc1)c1F

InChI

InChI=1S/C20H20FN3O4S/c21-17-3-1-2-4-18(17)22-10-12-23(13-11-22)20(26)15-5-7-16(8-6-15)24-19(25)9-14-29(24,27)28/h1-8H,9-14H2

InChI Key

XLODTYAALOGCDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10089321

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.192

Distribution Coefficient, logD

1.192

Water Solubility, LogSw

-2.18

Polar Surface Area

65.263

Acid Dissociation Constant (pKa)

16.32

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

D473-0828 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 D473-0828 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D473-0828?
Check Price and Availability of D473-0828, 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 D473-0828 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D473-0828
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D473-0828
  • 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 D473-0828 available by request