D473-0846 Screening compound: 2-[4-(2,3-dihydro-1H-indol-1-ylcarbonyl)phenyl]dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione

D473-0846 Screening compound: 2-[4-(2,3-dihydro-1H-indol-1-ylcarbonyl)phenyl]dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione
D473-0846 Screening compound: 2-[4-(2,3-dihydro-1H-indol-1-ylcarbonyl)phenyl]dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound D473-0846
2-[4-(2,3-dihydro-1H-indol-1-ylcarbonyl)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

D473-0846

Molecular Formula

C18H16N2O4S (C18 H16 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)ccc1N(C(CC1)=O)S1(=O)=O)N(CC1)c2c1cccc2

InChI

InChI=1S/C18H16N2O4S/c21-17-10-12-25(23,24)20(17)15-7-5-14(6-8-15)18(22)19-11-9-13-3-1-2-4-16(13)19/h1-8H,9-12H2

InChI Key

HRPQQMUAHIIDCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10089330

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.4

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

1.323

Distribution Coefficient, logD

1.323

Water Solubility, LogSw

-2.13

Polar Surface Area

61.334

Acid Dissociation Constant (pKa)

16.32

Base Dissociation Constant (pKb)

-1.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

D473-0846 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiparasite Library (23996 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
  • 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 D473-0846 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D473-0846?
Check Price and Availability of D473-0846, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D473-0846 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D473-0846
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D473-0846
  • 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 D473-0846 available by request