P799-0464 Screening compound: 4-(4-fluorophenyl)-2-(4-vinylbenzyl)-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1,3(2H,4H)-trione

P799-0464 Screening compound: 4-(4-fluorophenyl)-2-(4-vinylbenzyl)-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1,3(2H,4H)-trione
P799-0464 Screening compound: 4-(4-fluorophenyl)-2-(4-vinylbenzyl)-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 P799-0464
4-(4-fluorophenyl)-2-(4-vinylbenzyl)-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

P799-0464

Molecular Formula

C21H16FN3O3S (C21 H16 FN3 O3 S)

Compound Name

4-(4-fluorophenyl)-2-(4-vinylbenzyl)-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1,3(2H,4H)-trione

IUPAC name

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

SMILES

C=Cc1ccc(CN(C(N(c(cc2)ccc2F)c2c3cccn2)=O)S3(=O)=O)cc1

InChI

InChI=1S/C21H16FN3O3S/c1-2-15-5-7-16(8-6-15)14-24-21(26)25(18-11-9-17(22)10-12-18)20-19(29(24,27)28)4-3-13-23-20/h2-13H,1,14H2

InChI Key

ZRMZBYPBVYWHGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22597214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.531

Distribution Coefficient, logD

3.531

Water Solubility, LogSw

-3.63

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

4.80

P799-0464 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with P799-0464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P799-0464?
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What is the minimum amount of P799-0464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P799-0464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P799-0464
  • 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 P799-0464 available by request