D445-0356 Screening compound: 2-[4-(2,3-dihydro-1H-indol-1-ylsulfonyl)-3,5-dimethylphenyl]dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione

D445-0356 Screening compound: 2-[4-(2,3-dihydro-1H-indol-1-ylsulfonyl)-3,5-dimethylphenyl]dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione
D445-0356 Screening compound: 2-[4-(2,3-dihydro-1H-indol-1-ylsulfonyl)-3,5-dimethylphenyl]dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound D445-0356
2-[4-(2,3-dihydro-1H-indol-1-ylsulfonyl)-3,5-dimethylphenyl]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

D445-0356

Molecular Formula

C19H20N2O5S2 (C19 H20 N2 O5 S2)

Compound Name

2-[4-(2,3-dihydro-1H-indol-1-ylsulfonyl)-3,5-dimethylphenyl]dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione

IUPAC name

2-[4-(23-dihydro-1H-indole-1-sulfonyl)-35-dimethylphenyl]-1lambda62-thiazolidine-113-trione

SMILES

Cc1cc(N(C(CC2)=O)S2(=O)=O)cc(C)c1S(N(CC1)c2c1cccc2)(=O)=O

InChI

InChI=1S/C19H20N2O5S2/c1-13-11-16(21-18(22)8-10-27(21,23)24)12-14(2)19(13)28(25,26)20-9-7-15-5-3-4-6-17(15)20/h3-6,11-12H,7-10H2,1-2H3

InChI Key

CNUUYPINDDOBQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10480444

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.220

Distribution Coefficient, logD

2.220

Water Solubility, LogSw

-2.58

Polar Surface Area

77.174

Acid Dissociation Constant (pKa)

16.32

Base Dissociation Constant (pKb)

-9.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

D445-0356 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D445-0356 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D445-0356?
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What is the minimum amount of D445-0356 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D445-0356
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D445-0356
  • 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 D445-0356 available by request