P798-0066 Screening compound: 3-[1,1-dioxo-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-4(1H)-yl]benzonitrile

P798-0066 Screening compound: 3-[1,1-dioxo-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-4(1H)-yl]benzonitrile
P798-0066 Screening compound: 3-[1,1-dioxo-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-4(1H)-yl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound P798-0066
3-[1,1-dioxo-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-4(1H)-yl]benzonitrile

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

P798-0066

Molecular Formula

C13H8N4O2S (C13 H8 N4 O2 S)

Compound Name

3-[1,1-dioxo-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-4(1H)-yl]benzonitrile

IUPAC name

3-{11-dioxo-4H-1lambda6-pyrido[23-e][124]thiadiazin-4-yl}benzonitrile

SMILES

N#Cc1cccc(N(C=N2)c(nccc3)c3S2(=O)=O)c1

InChI

InChI=1S/C13H8N4O2S/c14-8-10-3-1-4-11(7-10)17-9-16-20(18,19)12-5-2-6-15-13(12)17/h1-7,9H

InChI Key

XVAKLGAJPVQGDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27614977

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.207

Distribution Coefficient, logD

1.207

Water Solubility, LogSw

-2.05

Polar Surface Area

70.407

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

3.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

P798-0066 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P798-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P798-0066?
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What is the minimum amount of P798-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P798-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P798-0066
  • 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 P798-0066 available by request