P799-0605 Screening compound: 4-(3-fluoro-4-methylphenyl)-2-(2-phenoxyethyl)-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1,3(2H,4H)-trione

P799-0605 Screening compound: 4-(3-fluoro-4-methylphenyl)-2-(2-phenoxyethyl)-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1,3(2H,4H)-trione
P799-0605 Screening compound: 4-(3-fluoro-4-methylphenyl)-2-(2-phenoxyethyl)-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 P799-0605
4-(3-fluoro-4-methylphenyl)-2-(2-phenoxyethyl)-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

P799-0605

Molecular Formula

C21H18FN3O4S (C21 H18 FN3 O4 S)

Compound Name

4-(3-fluoro-4-methylphenyl)-2-(2-phenoxyethyl)-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1,3(2H,4H)-trione

IUPAC name

4-(3-fluoro-4-methylphenyl)-2-(2-phenoxyethyl)-2H3H4H-1lambda6-pyrido[23-e][124]thiadiazine-113-trione

SMILES

Cc(ccc(N(c(nccc1)c1S(N1CCOc2ccccc2)(=O)=O)C1=O)c1)c1F

InChI

InChI=1S/C21H18FN3O4S/c1-15-9-10-16(14-18(15)22)25-20-19(8-5-11-23-20)30(27,28)24(21(25)26)12-13-29-17-6-3-2-4-7-17/h2-11,14H,12-13H2,1H3

InChI Key

MWMRKYYWNGOCNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22597224

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.746

Distribution Coefficient, logD

3.746

Water Solubility, LogSw

-3.78

Polar Surface Area

64.075

Acid Dissociation Constant (pKa)

27.23

Base Dissociation Constant (pKb)

-4.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

P799-0605 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with P799-0605 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P799-0605?
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What is the minimum amount of P799-0605 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P799-0605
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P799-0605
  • 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 P799-0605 available by request