D473-1764 Screening compound: 2-{3-[3,4-dihydro-1(2H)-quinolinylcarbonyl]phenyl}-4,4-dimethyldihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione

D473-1764 Screening compound: 2-{3-[3,4-dihydro-1(2H)-quinolinylcarbonyl]phenyl}-4,4-dimethyldihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione
D473-1764 Screening compound: 2-{3-[3,4-dihydro-1(2H)-quinolinylcarbonyl]phenyl}-4,4-dimethyldihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound D473-1764
2-{3-[3,4-dihydro-1(2H)-quinolinylcarbonyl]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

D473-1764

Molecular Formula

C21H22N2O4S (C21 H22 N2 O4 S)

Compound Name

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

IUPAC name

44-dimethyl-2-[3-(1234-tetrahydroquinoline-1-carbonyl)phenyl]-1lambda62-thiazolidine-113-trione

SMILES

CC(C)(CS(N1c2cc(C(N(CCC3)c4c3cccc4)=O)ccc2)(=O)=O)C1=O

InChI

InChI=1S/C21H22N2O4S/c1-21(2)14-28(26,27)23(20(21)25)17-10-5-8-16(13-17)19(24)22-12-6-9-15-7-3-4-11-18(15)22/h3-5,7-8,10-11,13H,6,9,12,14H2,1-2H3

InChI Key

KUGWDGHZIYXTIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10090093

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.48

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

3.111

Distribution Coefficient, logD

3.111

Water Solubility, LogSw

-3.55

Polar Surface Area

60.690

Acid Dissociation Constant (pKa)

22.10

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D473-1764 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system

References: we are preparing a list of scientific research reports with D473-1764 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D473-1764?
Check Price and Availability of D473-1764, 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 D473-1764 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D473-1764
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D473-1764
  • 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 D473-1764 available by request