P799-0392 Screening compound: 2-[(3,5-dimethyl-4-isoxazolyl)methyl]-4-[4-(methylsulfanyl)phenyl]-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1,3(2H,4H)-trione

P799-0392 Screening compound: 2-[(3,5-dimethyl-4-isoxazolyl)methyl]-4-[4-(methylsulfanyl)phenyl]-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1,3(2H,4H)-trione
P799-0392 Screening compound: 2-[(3,5-dimethyl-4-isoxazolyl)methyl]-4-[4-(methylsulfanyl)phenyl]-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 P799-0392
2-[(3,5-dimethyl-4-isoxazolyl)methyl]-4-[4-(methylsulfanyl)phenyl]-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

P799-0392

Molecular Formula

C19H18N4O4S2 (C19 H18 N4 O4 S2)

Compound Name

2-[(3,5-dimethyl-4-isoxazolyl)methyl]-4-[4-(methylsulfanyl)phenyl]-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-(methylsulfanyl)phenyl]-2H3H4H-1lambda6-pyrido[23-e][124]thiadiazine-113-trione

SMILES

Cc1noc(C)c1CN(C(N(c(cc1)ccc1SC)c1c2cccn1)=O)S2(=O)=O

InChI

InChI=1S/C19H18N4O4S2/c1-12-16(13(2)27-21-12)11-22-19(24)23(14-6-8-15(28-3)9-7-14)18-17(29(22,25)26)5-4-10-20-18/h4-10H,11H2,1-3H3

InChI Key

CTJLKWKLQZCMOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22597196

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.735

Distribution Coefficient, logD

2.735

Water Solubility, LogSw

-3.06

Polar Surface Area

78.717

Acid Dissociation Constant (pKa)

22.15

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

P799-0392 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P799-0392 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P799-0392?
Check Price and Availability of P799-0392, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of P799-0392 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P799-0392
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P799-0392
  • 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 P799-0392 available by request