D473-1252 Screening compound: 2-[3-chloro-4-(morpholinocarbonyl)phenyl]dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione

D473-1252 Screening compound: 2-[3-chloro-4-(morpholinocarbonyl)phenyl]dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione
D473-1252 Screening compound: 2-[3-chloro-4-(morpholinocarbonyl)phenyl]dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound D473-1252
2-[3-chloro-4-(morpholinocarbonyl)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

D473-1252

Molecular Formula

C14H15ClN2O5S (C14 H15 ClN2 O5 S)

Compound Name

2-[3-chloro-4-(morpholinocarbonyl)phenyl]dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione

IUPAC name

2-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-1lambda62-thiazolidine-113-trione

SMILES

O=C(c(ccc(N(C(CC1)=O)S1(=O)=O)c1)c1Cl)N1CCOCC1

InChI

InChI=1S/C14H15ClN2O5S/c15-12-9-10(17-13(18)3-8-23(17,20)21)1-2-11(12)14(19)16-4-6-22-7-5-16/h1-2,9H,3-8H2

InChI Key

IDGWWTISVZFMOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10089683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.8

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.199

Distribution Coefficient, logD

-0.199

Water Solubility, LogSw

-2.92

Polar Surface Area

70.212

Acid Dissociation Constant (pKa)

15.93

Base Dissociation Constant (pKb)

-3.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

D473-1252 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 D473-1252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D473-1252?
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What is the minimum amount of D473-1252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D473-1252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D473-1252
  • 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 D473-1252 available by request