P799-0300 Screening compound: 2-(2,5-difluorobenzyl)-4-(4-methoxyphenyl)-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1,3(2H,4H)-trione

P799-0300 Screening compound: 2-(2,5-difluorobenzyl)-4-(4-methoxyphenyl)-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1,3(2H,4H)-trione
P799-0300 Screening compound: 2-(2,5-difluorobenzyl)-4-(4-methoxyphenyl)-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 P799-0300
2-(2,5-difluorobenzyl)-4-(4-methoxyphenyl)-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

P799-0300

Molecular Formula

C20H15F2N3O4S (C20 H15 F2 N3 O4 S)

Compound Name

2-(2,5-difluorobenzyl)-4-(4-methoxyphenyl)-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1,3(2H,4H)-trione

IUPAC name

2-[(25-difluorophenyl)methyl]-4-(4-methoxyphenyl)-2H3H4H-1lambda6-pyrido[23-e][124]thiadiazine-113-trione

SMILES

COc(cc1)ccc1N(c(nccc1)c1S(N1Cc(cc(cc2)F)c2F)(=O)=O)C1=O

InChI

InChI=1S/C20H15F2N3O4S/c1-29-16-7-5-15(6-8-16)25-19-18(3-2-10-23-19)30(27,28)24(20(25)26)12-13-11-14(21)4-9-17(13)22/h2-11H,12H2,1H3

InChI Key

SMRLCNWTEZKOFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27615064

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.42

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

3.340

Distribution Coefficient, logD

3.340

Water Solubility, LogSw

-3.58

Polar Surface Area

64.222

Acid Dissociation Constant (pKa)

25.79

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

P799-0300 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Library (67538 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P799-0300 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P799-0300?
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What is the minimum amount of P799-0300 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P799-0300
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P799-0300
  • 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 P799-0300 available by request