P799-0413 Screening compound: [4-(3-fluorophenyl)-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]methyl cyanide

P799-0413 Screening compound: [4-(3-fluorophenyl)-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]methyl cyanide
P799-0413 Screening compound: [4-(3-fluorophenyl)-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]methyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound P799-0413
[4-(3-fluorophenyl)-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]methyl cyanide

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

P799-0413

Molecular Formula

C14H9FN4O3S (C14 H9 FN4 O3 S)

Compound Name

[4-(3-fluorophenyl)-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]methyl cyanide

IUPAC name

2-[4-(3-fluorophenyl)-113-trioxo-2H3H4H-1lambda6-pyrido[23-e][124]thiadiazin-2-yl]acetonitrile

SMILES

N#CCN(C(N(c1cc(F)ccc1)c1c2cccn1)=O)S2(=O)=O

InChI

InChI=1S/C14H9FN4O3S/c15-10-3-1-4-11(9-10)19-13-12(5-2-7-17-13)23(21,22)18(8-6-16)14(19)20/h1-5,7,9H,8H2

InChI Key

HPPNDBZMGMPITE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27615071

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.012

Distribution Coefficient, logD

1.012

Water Solubility, LogSw

-2.35

Polar Surface Area

74.420

Acid Dissociation Constant (pKa)

21.72

Base Dissociation Constant (pKb)

-3.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

P799-0413 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with P799-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P799-0413?
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What is the minimum amount of P799-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P799-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P799-0413
  • 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 P799-0413 available by request