P799-0279 Screening compound: 2-(2-chlorobenzyl)-4-(4-methoxyphenyl)-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1,3(2H,4H)-trione

P799-0279 Screening compound: 2-(2-chlorobenzyl)-4-(4-methoxyphenyl)-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1,3(2H,4H)-trione
P799-0279 Screening compound: 2-(2-chlorobenzyl)-4-(4-methoxyphenyl)-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 P799-0279
2-(2-chlorobenzyl)-4-(4-methoxyphenyl)-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

P799-0279

Molecular Formula

C20H16ClN3O4S (C20 H16 ClN3 O4 S)

Compound Name

2-(2-chlorobenzyl)-4-(4-methoxyphenyl)-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1,3(2H,4H)-trione

IUPAC name

2-[(2-chlorophenyl)methyl]-4-(4-methoxyphenyl)-2H3H4H-1lambda6-pyrido[23-e][124]thiadiazine-113-trione

SMILES

COc(cc1)ccc1N(c(nccc1)c1S(N1Cc(cccc2)c2Cl)(=O)=O)C1=O

InChI

InChI=1S/C20H16ClN3O4S/c1-28-16-10-8-15(9-11-16)24-19-18(7-4-12-22-19)29(26,27)23(20(24)25)13-14-5-2-3-6-17(14)21/h2-12H,13H2,1H3

InChI Key

FUYMDNCSISMBON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27615059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.88

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.512

Distribution Coefficient, logD

3.512

Water Solubility, LogSw

-3.63

Polar Surface Area

64.222

Acid Dissociation Constant (pKa)

26.18

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

P799-0279 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P799-0279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P799-0279?
Check Price and Availability of P799-0279, 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 P799-0279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P799-0279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P799-0279
  • 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 P799-0279 available by request