P799-0465 Screening compound: 4-(4-fluorophenyl)-2-(3-methoxybenzyl)-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1,3(2H,4H)-trione

P799-0465 Screening compound: 4-(4-fluorophenyl)-2-(3-methoxybenzyl)-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1,3(2H,4H)-trione
P799-0465 Screening compound: 4-(4-fluorophenyl)-2-(3-methoxybenzyl)-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 P799-0465
4-(4-fluorophenyl)-2-(3-methoxybenzyl)-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

P799-0465

Molecular Formula

C20H16FN3O4S (C20 H16 FN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(CN(C(N(c(cc2)ccc2F)c2c3cccn2)=O)S3(=O)=O)c1

InChI

InChI=1S/C20H16FN3O4S/c1-28-17-5-2-4-14(12-17)13-23-20(25)24(16-9-7-15(21)8-10-16)19-18(29(23,26)27)6-3-11-22-19/h2-12H,13H2,1H3

InChI Key

IDRVDLDCJOJUKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22597215

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.43

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

2.992

Distribution Coefficient, logD

2.992

Water Solubility, LogSw

-3.39

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

References: we are preparing a list of scientific research reports with P799-0465 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P799-0465?
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What is the minimum amount of P799-0465 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P799-0465
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P799-0465
  • 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 P799-0465 available by request