P799-0592 Screening compound: tert-butyl 2-[4-(3-fluoro-4-methylphenyl)-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]acetate

P799-0592 Screening compound: tert-butyl 2-[4-(3-fluoro-4-methylphenyl)-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]acetate
P799-0592 Screening compound: tert-butyl 2-[4-(3-fluoro-4-methylphenyl)-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound P799-0592
tert-butyl 2-[4-(3-fluoro-4-methylphenyl)-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]acetate

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

P799-0592

Molecular Formula

C19H20FN3O5S (C19 H20 FN3 O5 S)

Compound Name

tert-butyl 2-[4-(3-fluoro-4-methylphenyl)-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]acetate

IUPAC name

tert-butyl 2-[4-(3-fluoro-4-methylphenyl)-113-trioxo-2H3H4H-1lambda6-pyrido[23-e][124]thiadiazin-2-yl]acetate

SMILES

CC(C)(C)OC(CN(C(N(c1cc(F)c(C)cc1)c1c2cccn1)=O)S2(=O)=O)=O

InChI

InChI=1S/C19H20FN3O5S/c1-12-7-8-13(10-14(12)20)23-17-15(6-5-9-21-17)29(26,27)22(18(23)25)11-16(24)28-19(2,3)4/h5-10H,11H2,1-4H3

InChI Key

AFHXAGOVRBSPBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27615084

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.050

Distribution Coefficient, logD

3.050

Water Solubility, LogSw

-3.29

Polar Surface Area

76.218

Acid Dissociation Constant (pKa)

22.41

Base Dissociation Constant (pKb)

-4.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.58

P799-0592 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with P799-0592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P799-0592?
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What is the minimum amount of P799-0592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P799-0592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P799-0592
  • 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 P799-0592 available by request