P799-0414 Screening compound: 4-(3-fluorophenyl)-2-(2-methylbenzyl)-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1,3(2H,4H)-trione

P799-0414 Screening compound: 4-(3-fluorophenyl)-2-(2-methylbenzyl)-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1,3(2H,4H)-trione
P799-0414 Screening compound: 4-(3-fluorophenyl)-2-(2-methylbenzyl)-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 P799-0414
4-(3-fluorophenyl)-2-(2-methylbenzyl)-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

P799-0414

Molecular Formula

C20H16FN3O3S (C20 H16 FN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CN(C(N(c2cc(F)ccc2)c2c3cccn2)=O)S3(=O)=O)cccc1

InChI

InChI=1S/C20H16FN3O3S/c1-14-6-2-3-7-15(14)13-23-20(25)24(17-9-4-8-16(21)12-17)19-18(28(23,26)27)10-5-11-22-19/h2-12H,13H2,1H3

InChI Key

VJGUPPRZXJQNTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22597198

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.739

Distribution Coefficient, logD

3.739

Water Solubility, LogSw

-3.82

Polar Surface Area

56.679

Acid Dissociation Constant (pKa)

25.81

Base Dissociation Constant (pKb)

-3.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

P799-0414 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with P799-0414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P799-0414?
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What is the minimum amount of P799-0414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P799-0414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P799-0414
  • 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 P799-0414 available by request