P799-0293 Screening compound: 2-[(3,5-dimethyl-4-isoxazolyl)methyl]-4-(4-methoxyphenyl)-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1,3(2H,4H)-trione

P799-0293 Screening compound: 2-[(3,5-dimethyl-4-isoxazolyl)methyl]-4-(4-methoxyphenyl)-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1,3(2H,4H)-trione
P799-0293 Screening compound: 2-[(3,5-dimethyl-4-isoxazolyl)methyl]-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 P799-0293
2-[(3,5-dimethyl-4-isoxazolyl)methyl]-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

P799-0293

Molecular Formula

C19H18N4O5S (C19 H18 N4 O5 S)

Compound Name

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

IUPAC name

2-[(35-dimethyl-12-oxazol-4-yl)methyl]-4-(4-methoxyphenyl)-2H3H4H-1lambda6-pyrido[23-e][124]thiadiazine-113-trione

SMILES

Cc1noc(C)c1CN(C(N(c(cc1)ccc1OC)c1c2cccn1)=O)S2(=O)=O

InChI

InChI=1S/C19H18N4O5S/c1-12-16(13(2)28-21-12)11-22-19(24)23(14-6-8-15(27-3)9-7-14)18-17(29(22,25)26)5-4-10-20-18/h4-10H,11H2,1-3H3

InChI Key

LKFVYTMKKDGRCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22597183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.998

Distribution Coefficient, logD

1.998

Water Solubility, LogSw

-2.42

Polar Surface Area

86.261

Acid Dissociation Constant (pKa)

22.15

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

P799-0293 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Angiogenesis library (14822 compounds)

Antifungal Library (16415 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
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • 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 P799-0293 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of P799-0293 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P799-0293
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P799-0293
  • 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 P799-0293 available by request