P585-2055 Screening compound: 2-{2-[3,4-dihydro-1(2H)-quinolinyl]-2-oxoethyl}-4-(4-methylphenyl)-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1(2H)-dione

P585-2055 Screening compound: 2-{2-[3,4-dihydro-1(2H)-quinolinyl]-2-oxoethyl}-4-(4-methylphenyl)-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1(2H)-dione
P585-2055 Screening compound: 2-{2-[3,4-dihydro-1(2H)-quinolinyl]-2-oxoethyl}-4-(4-methylphenyl)-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound P585-2055
2-{2-[3,4-dihydro-1(2H)-quinolinyl]-2-oxoethyl}-4-(4-methylphenyl)-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1(2H)-dione

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

P585-2055

Molecular Formula

C24H24N4O3S (C24 H24 N4 O3 S)

Compound Name

2-{2-[3,4-dihydro-1(2H)-quinolinyl]-2-oxoethyl}-4-(4-methylphenyl)-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1(2H)-dione

IUPAC name

4-(4-methylphenyl)-2-[2-oxo-2-(1234-tetrahydroquinolin-1-yl)ethyl]-2H3H4H-1lambda6-pyrido[23-e][124]thiadiazine-11-dione

SMILES

Cc(cc1)ccc1N(CN1CC(N(CCC2)c3c2cccc3)=O)c(nccc2)c2S1(=O)=O

InChI

InChI=1S/C24H24N4O3S/c1-18-10-12-20(13-11-18)28-17-26(32(30,31)22-9-4-14-25-24(22)28)16-23(29)27-15-5-7-19-6-2-3-8-21(19)27/h2-4,6,8-14H,5,7,15-17H2,1H3

InChI Key

RNYHLGKGDHVGNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22596863

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.849

Distribution Coefficient, logD

3.849

Water Solubility, LogSw

-3.85

Polar Surface Area

59.873

Acid Dissociation Constant (pKa)

20.63

Base Dissociation Constant (pKb)

0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

P585-2055 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P585-2055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P585-2055?
Check Price and Availability of P585-2055, 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 P585-2055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P585-2055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P585-2055
  • 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 P585-2055 available by request