P799-0354 Screening compound: 2-(2-fluorobenzyl)-4-[3-(methylsulfanyl)phenyl]-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1,3(2H,4H)-trione

P799-0354 Screening compound: 2-(2-fluorobenzyl)-4-[3-(methylsulfanyl)phenyl]-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1,3(2H,4H)-trione
P799-0354 Screening compound: 2-(2-fluorobenzyl)-4-[3-(methylsulfanyl)phenyl]-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1,3(2H,4H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound P799-0354
2-(2-fluorobenzyl)-4-[3-(methylsulfanyl)phenyl]-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1,3(2H,4H)-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

P799-0354

Molecular Formula

C20H16FN3O3S2 (C20 H16 FN3 O3 S2)

Compound Name

2-(2-fluorobenzyl)-4-[3-(methylsulfanyl)phenyl]-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1,3(2H,4H)-trione

IUPAC name

2-[(2-fluorophenyl)methyl]-4-[3-(methylsulfanyl)phenyl]-2H3H4H-1lambda6-pyrido[23-e][124]thiadiazine-113-trione

SMILES

CSc1cccc(N(c(nccc2)c2S(N2Cc(cccc3)c3F)(=O)=O)C2=O)c1

InChI

InChI=1S/C20H16FN3O3S2/c1-28-16-8-4-7-15(12-16)24-19-18(10-5-11-22-19)29(26,27)23(20(24)25)13-14-6-2-3-9-17(14)21/h2-12H,13H2,1H3

InChI Key

WXBYIUMVUSNGEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22597186

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.614

Distribution Coefficient, logD

3.614

Water Solubility, LogSw

-3.75

Polar Surface Area

56.679

Acid Dissociation Constant (pKa)

26.18

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

P799-0354 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with P799-0354 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P799-0354?
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What is the minimum amount of P799-0354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P799-0354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P799-0354
  • 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 P799-0354 available by request