D473-1164 Screening compound: 2-[4-(2,3-dihydro-1H-indol-1-ylcarbonyl)phenyl]-4,4-dimethyldihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione

D473-1164 Screening compound: 2-[4-(2,3-dihydro-1H-indol-1-ylcarbonyl)phenyl]-4,4-dimethyldihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione
D473-1164 Screening compound: 2-[4-(2,3-dihydro-1H-indol-1-ylcarbonyl)phenyl]-4,4-dimethyldihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound D473-1164
2-[4-(2,3-dihydro-1H-indol-1-ylcarbonyl)phenyl]-4,4-dimethyldihydro-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

D473-1164

Molecular Formula

C20H20N2O4S (C20 H20 N2 O4 S)

Compound Name

2-[4-(2,3-dihydro-1H-indol-1-ylcarbonyl)phenyl]-4,4-dimethyldihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione

IUPAC name

2-[4-(23-dihydro-1H-indole-1-carbonyl)phenyl]-44-dimethyl-1lambda62-thiazolidine-113-trione

SMILES

CC(C)(CS(N1c(cc2)ccc2C(N(CC2)c3c2cccc3)=O)(=O)=O)C1=O

InChI

InChI=1S/C20H20N2O4S/c1-20(2)13-27(25,26)22(19(20)24)16-9-7-15(8-10-16)18(23)21-12-11-14-5-3-4-6-17(14)21/h3-10H,11-13H2,1-2H3

InChI Key

SKRPKDPTWLQNCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10089602

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.640

Distribution Coefficient, logD

2.640

Water Solubility, LogSw

-3.05

Polar Surface Area

61.056

Acid Dissociation Constant (pKa)

22.10

Base Dissociation Constant (pKb)

-1.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

D473-1164 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

CNS MPO Library (28609 compounds)

Nucleic Acid Ligands (8311 compounds)

Targeted Diversity Library (40567 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D473-1164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D473-1164?
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What is the minimum amount of D473-1164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D473-1164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D473-1164
  • 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 D473-1164 available by request