P799-0533 Screening compound: 4-(4-chlorophenyl)-2-[(3,5-dimethyl-4-isoxazolyl)methyl]-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1,3(2H,4H)-trione

P799-0533 Screening compound: 4-(4-chlorophenyl)-2-[(3,5-dimethyl-4-isoxazolyl)methyl]-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1,3(2H,4H)-trione
P799-0533 Screening compound: 4-(4-chlorophenyl)-2-[(3,5-dimethyl-4-isoxazolyl)methyl]-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 P799-0533
4-(4-chlorophenyl)-2-[(3,5-dimethyl-4-isoxazolyl)methyl]-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

P799-0533

Molecular Formula

C18H15ClN4O4S (C18 H15 ClN4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1noc(C)c1CN(C(N(c(cc1)ccc1Cl)c1ncccc11)=O)S1(=O)=O

InChI

InChI=1S/C18H15ClN4O4S/c1-11-15(12(2)27-21-11)10-22-18(24)23(14-7-5-13(19)6-8-14)17-16(28(22,25)26)4-3-9-20-17/h3-9H,10H2,1-2H3

InChI Key

ODOIHUDIWUUYFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27615081

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.86

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.611

Distribution Coefficient, logD

2.611

Water Solubility, LogSw

-3.01

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

16.70

P799-0533 in Drug Discovery

Included in Screening Libraries

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 P799-0533 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P799-0533?
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What is the minimum amount of P799-0533 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P799-0533
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P799-0533
  • 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 P799-0533 available by request