D473-0984 Screening compound: 2-(4-{[4-(2-fluorophenyl)piperazino]carbonyl}phenyl)-4-methyldihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione

D473-0984 Screening compound: 2-(4-{[4-(2-fluorophenyl)piperazino]carbonyl}phenyl)-4-methyldihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione
D473-0984 Screening compound: 2-(4-{[4-(2-fluorophenyl)piperazino]carbonyl}phenyl)-4-methyldihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound D473-0984
2-(4-{[4-(2-fluorophenyl)piperazino]carbonyl}phenyl)-4-methyldihydro-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

D473-0984

Molecular Formula

C21H22FN3O4S (C21 H22 FN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(CS(N1c(cc2)ccc2C(N(CC2)CCN2c(cccc2)c2F)=O)(=O)=O)C1=O

InChI

InChI=1S/C21H22FN3O4S/c1-15-14-30(28,29)25(20(15)26)17-8-6-16(7-9-17)21(27)24-12-10-23(11-13-24)19-5-3-2-4-18(19)22/h2-9,15H,10-14H2,1H3/t15-/m1/s1

InChI Key

BGVYKUUDOHBGIU-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD10089444

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.49

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

1.681

Distribution Coefficient, logD

1.681

Water Solubility, LogSw

-2.34

Polar Surface Area

64.985

Acid Dissociation Constant (pKa)

15.14

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

D473-0984 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 D473-0984 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D473-0984?
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What is the minimum amount of D473-0984 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D473-0984
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D473-0984
  • 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 D473-0984 available by request