D470-0166 Screening compound: 2-{4-methoxy-3-[(4-methylpiperidino)sulfonyl]phenyl}dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione

D470-0166 Screening compound: 2-{4-methoxy-3-[(4-methylpiperidino)sulfonyl]phenyl}dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione
D470-0166 Screening compound: 2-{4-methoxy-3-[(4-methylpiperidino)sulfonyl]phenyl}dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-0166
2-{4-methoxy-3-[(4-methylpiperidino)sulfonyl]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

D470-0166

Molecular Formula

C16H22N2O6S2 (C16 H22 N2 O6 S2)

Compound Name

2-{4-methoxy-3-[(4-methylpiperidino)sulfonyl]phenyl}dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione

IUPAC name

2-{4-methoxy-3-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}-1lambda62-thiazolidine-113-trione

SMILES

CC(CC1)CCN1S(c(cc(cc1)N(C(CC2)=O)S2(=O)=O)c1OC)(=O)=O

InChI

InChI=1S/C16H22N2O6S2/c1-12-5-8-17(9-6-12)26(22,23)15-11-13(3-4-14(15)24-2)18-16(19)7-10-25(18,20)21/h3-4,11-12H,5-10H2,1-2H3

InChI Key

ZJZUGOCWCKVCSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10042861

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.49

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.973

Distribution Coefficient, logD

0.973

Water Solubility, LogSw

-2.36

Polar Surface Area

84.997

Acid Dissociation Constant (pKa)

16.32

Base Dissociation Constant (pKb)

-3.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

D470-0166 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 D470-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-0166?
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What is the minimum amount of D470-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-0166
  • 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 D470-0166 available by request