P799-0386 Screening compound: ethyl 2-[4-[4-(methylsulfanyl)phenyl]-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]acetate

P799-0386 Screening compound: ethyl 2-[4-[4-(methylsulfanyl)phenyl]-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]acetate
P799-0386 Screening compound: ethyl 2-[4-[4-(methylsulfanyl)phenyl]-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound P799-0386
ethyl 2-[4-[4-(methylsulfanyl)phenyl]-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]acetate

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

P799-0386

Molecular Formula

C17H17N3O5S2 (C17 H17 N3 O5 S2)

Compound Name

ethyl 2-[4-[4-(methylsulfanyl)phenyl]-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]acetate

IUPAC name

ethyl 2-{4-[4-(methylsulfanyl)phenyl]-113-trioxo-2H3H4H-1lambda6-pyrido[23-e][124]thiadiazin-2-yl}acetate

SMILES

CCOC(CN(C(N(c(cc1)ccc1SC)c1c2cccn1)=O)S2(=O)=O)=O

InChI

InChI=1S/C17H17N3O5S2/c1-3-25-15(21)11-19-17(22)20(12-6-8-13(26-2)9-7-12)16-14(27(19,23)24)5-4-10-18-16/h4-10H,3,11H2,1-2H3

InChI Key

IZCZYQQHAJKBNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22597193

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.217

Distribution Coefficient, logD

2.217

Water Solubility, LogSw

-2.46

Polar Surface Area

77.109

Acid Dissociation Constant (pKa)

21.25

Base Dissociation Constant (pKb)

-4.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

P799-0386 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

KRAS-Targeted Library (16000 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P799-0386 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P799-0386?
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What is the minimum amount of P799-0386 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P799-0386
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P799-0386
  • 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 P799-0386 available by request