P799-0462 Screening compound: 2-(4-fluorobenzyl)-4-(4-fluorophenyl)-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1,3(2H,4H)-trione

P799-0462 Screening compound: 2-(4-fluorobenzyl)-4-(4-fluorophenyl)-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1,3(2H,4H)-trione
P799-0462 Screening compound: 2-(4-fluorobenzyl)-4-(4-fluorophenyl)-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 P799-0462
2-(4-fluorobenzyl)-4-(4-fluorophenyl)-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

P799-0462

Molecular Formula

C19H13F2N3O3S (C19 H13 F2 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(N1Cc(cc2)ccc2F)N(c(cc2)ccc2F)c(nccc2)c2S1(=O)=O

InChI

InChI=1S/C19H13F2N3O3S/c20-14-5-3-13(4-6-14)12-23-19(25)24(16-9-7-15(21)8-10-16)18-17(28(23,26)27)2-1-11-22-18/h1-11H,12H2

InChI Key

LVLOJDSDROVVKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22597212

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.966

Distribution Coefficient, logD

2.966

Water Solubility, LogSw

-3.27

Polar Surface Area

56.679

Acid Dissociation Constant (pKa)

25.71

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

P799-0462 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P799-0462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P799-0462?
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What is the minimum amount of P799-0462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P799-0462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P799-0462
  • 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 P799-0462 available by request