P798-0026 Screening compound: 4-(4-isopropylphenyl)-3-methyl-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1(4H)-dione

P798-0026 Screening compound: 4-(4-isopropylphenyl)-3-methyl-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1(4H)-dione
P798-0026 Screening compound: 4-(4-isopropylphenyl)-3-methyl-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1(4H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound P798-0026
4-(4-isopropylphenyl)-3-methyl-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1(4H)-dione

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

P798-0026

Molecular Formula

C16H17N3O2S (C16 H17 N3 O2 S)

Compound Name

4-(4-isopropylphenyl)-3-methyl-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1(4H)-dione

IUPAC name

3-methyl-4-[4-(propan-2-yl)phenyl]-4H-1lambda6-pyrido[23-e][124]thiadiazine-11-dione

SMILES

CC(C)c(cc1)ccc1N(C(C)=N1)c(nccc2)c2S1(=O)=O

InChI

InChI=1S/C16H17N3O2S/c1-11(2)13-6-8-14(9-7-13)19-12(3)18-22(20,21)15-5-4-10-17-16(15)19/h4-11H,1-3H3

InChI Key

QXFQWXPWQLHDNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27614951

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.780

Distribution Coefficient, logD

2.778

Water Solubility, LogSw

-3.19

Polar Surface Area

52.047

Acid Dissociation Constant (pKa)

20.45

Base Dissociation Constant (pKb)

5.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

P798-0026 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

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

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with P798-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P798-0026?
Check Price and Availability of P798-0026, 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 P798-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P798-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P798-0026
  • 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 P798-0026 available by request