P799-0593 Screening compound: 2-[(3,5-dimethyl-4-isoxazolyl)methyl]-4-(3-fluoro-4-methylphenyl)-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1,3(2H,4H)-trione

P799-0593 Screening compound: 2-[(3,5-dimethyl-4-isoxazolyl)methyl]-4-(3-fluoro-4-methylphenyl)-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1,3(2H,4H)-trione
P799-0593 Screening compound: 2-[(3,5-dimethyl-4-isoxazolyl)methyl]-4-(3-fluoro-4-methylphenyl)-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 P799-0593
2-[(3,5-dimethyl-4-isoxazolyl)methyl]-4-(3-fluoro-4-methylphenyl)-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

P799-0593

Molecular Formula

C19H17FN4O4S (C19 H17 FN4 O4 S)

Compound Name

2-[(3,5-dimethyl-4-isoxazolyl)methyl]-4-(3-fluoro-4-methylphenyl)-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1,3(2H,4H)-trione

IUPAC name

2-[(35-dimethyl-12-oxazol-4-yl)methyl]-4-(3-fluoro-4-methylphenyl)-2H3H4H-1lambda6-pyrido[23-e][124]thiadiazine-113-trione

SMILES

Cc1noc(C)c1CN(C(N(c1cc(F)c(C)cc1)c1c2cccn1)=O)S2(=O)=O

InChI

InChI=1S/C19H17FN4O4S/c1-11-6-7-14(9-16(11)20)24-18-17(5-4-8-21-18)29(26,27)23(19(24)25)10-15-12(2)22-28-13(15)3/h4-9H,10H2,1-3H3

InChI Key

KFPXMFFMRGEKTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27615085

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.677

Distribution Coefficient, logD

2.677

Water Solubility, LogSw

-2.85

Polar Surface Area

78.717

Acid Dissociation Constant (pKa)

22.15

Base Dissociation Constant (pKb)

-3.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

P799-0593 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P799-0593 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P799-0593?
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What is the minimum amount of P799-0593 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P799-0593
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P799-0593
  • 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 P799-0593 available by request