P799-0289 Screening compound: 2-(3-methoxybenzyl)-4-(4-methoxyphenyl)-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1,3(2H,4H)-trione

P799-0289 Screening compound: 2-(3-methoxybenzyl)-4-(4-methoxyphenyl)-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1,3(2H,4H)-trione
P799-0289 Screening compound: 2-(3-methoxybenzyl)-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 P799-0289
2-(3-methoxybenzyl)-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

P799-0289

Molecular Formula

C21H19N3O5S (C21 H19 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1N(c(nccc1)c1S(N1Cc2cc(OC)ccc2)(=O)=O)C1=O

InChI

InChI=1S/C21H19N3O5S/c1-28-17-10-8-16(9-11-17)24-20-19(7-4-12-22-20)30(26,27)23(21(24)25)14-15-5-3-6-18(13-15)29-2/h3-13H,14H2,1-2H3

InChI Key

KTVKHLWURBZVLB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22597181

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.945

Distribution Coefficient, logD

2.945

Water Solubility, LogSw

-3.47

Polar Surface Area

71.766

Acid Dissociation Constant (pKa)

26.18

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with P799-0289 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of P799-0289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P799-0289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P799-0289
  • 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 P799-0289 available by request