D473-1435 Screening compound: 2-(3-chloro-4-{[4-(3-methylphenyl)piperazino]carbonyl}phenyl)-4-methyldihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione

D473-1435 Screening compound: 2-(3-chloro-4-{[4-(3-methylphenyl)piperazino]carbonyl}phenyl)-4-methyldihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione
D473-1435 Screening compound: 2-(3-chloro-4-{[4-(3-methylphenyl)piperazino]carbonyl}phenyl)-4-methyldihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound D473-1435
2-(3-chloro-4-{[4-(3-methylphenyl)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

D473-1435

Molecular Formula

C22H24ClN3O4S (C22 H24 ClN3 O4 S)

Compound Name

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

IUPAC name

2-{3-chloro-4-[4-(3-methylphenyl)piperazine-1-carbonyl]phenyl}-4-methyl-1lambda62-thiazolidine-113-trione

SMILES

CC(CS(N1c(cc2)cc(Cl)c2C(N(CC2)CCN2c2cc(C)ccc2)=O)(=O)=O)C1=O

InChI

InChI=1S/C22H24ClN3O4S/c1-15-4-3-5-17(12-15)24-8-10-25(11-9-24)22(28)19-7-6-18(13-20(19)23)26-21(27)16(2)14-31(26,29)30/h3-7,12-13,16H,8-11,14H2,1-2H3/t16-/m1/s1

InChI Key

XMNXVQMGABBCBQ-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD10089836

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.97

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

2.527

Distribution Coefficient, logD

2.527

Water Solubility, LogSw

-3.48

Polar Surface Area

65.286

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

2.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with D473-1435 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D473-1435?
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What is the minimum amount of D473-1435 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D473-1435
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D473-1435
  • 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 D473-1435 available by request