P799-0236 Screening compound: 2-(4-chlorobenzyl)-4-(3-methoxyphenyl)-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1,3(2H,4H)-trione

P799-0236 Screening compound: 2-(4-chlorobenzyl)-4-(3-methoxyphenyl)-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1,3(2H,4H)-trione
P799-0236 Screening compound: 2-(4-chlorobenzyl)-4-(3-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 P799-0236
2-(4-chlorobenzyl)-4-(3-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

P799-0236

Molecular Formula

C20H16ClN3O4S (C20 H16 ClN3 O4 S)

Compound Name

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

IUPAC name

2-[(4-chlorophenyl)methyl]-4-(3-methoxyphenyl)-2H3H4H-1lambda6-pyrido[23-e][124]thiadiazine-113-trione

SMILES

COc1cccc(N(c(nccc2)c2S(N2Cc(cc3)ccc3Cl)(=O)=O)C2=O)c1

InChI

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

InChI Key

ANTKXOZEFQHEMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27615056

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

3.666

Distribution Coefficient, logD

3.666

Water Solubility, LogSw

-4.11

Polar Surface Area

64.222

Acid Dissociation Constant (pKa)

25.71

Base Dissociation Constant (pKb)

-3.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with P799-0236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P799-0236?
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What is the minimum amount of P799-0236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P799-0236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P799-0236
  • 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 P799-0236 available by request