P799-0500 Screening compound: ethyl 2-[4-(3-chlorophenyl)-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]acetate

P799-0500 Screening compound: ethyl 2-[4-(3-chlorophenyl)-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]acetate
P799-0500 Screening compound: ethyl 2-[4-(3-chlorophenyl)-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 P799-0500
ethyl 2-[4-(3-chlorophenyl)-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

P799-0500

Molecular Formula

C16H14ClN3O5S (C16 H14 ClN3 O5 S)

Compound Name

ethyl 2-[4-(3-chlorophenyl)-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]acetate

IUPAC name

ethyl 2-[4-(3-chlorophenyl)-113-trioxo-2H3H4H-1lambda6-pyrido[23-e][124]thiadiazin-2-yl]acetate

SMILES

CCOC(CN(C(N(c1cccc(Cl)c1)c1ncccc11)=O)S1(=O)=O)=O

InChI

InChI=1S/C16H14ClN3O5S/c1-2-25-14(21)10-19-16(22)20(12-6-3-5-11(17)9-12)15-13(26(19,23)24)7-4-8-18-15/h3-9H,2,10H2,1H3

InChI Key

FYINHADYFWETEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22597218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.82

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

2.138

Distribution Coefficient, logD

2.138

Water Solubility, LogSw

-2.93

Polar Surface Area

77.109

Acid Dissociation Constant (pKa)

21.25

Base Dissociation Constant (pKb)

-4.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

P799-0500 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P799-0500 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P799-0500?
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What is the minimum amount of P799-0500 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P799-0500
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P799-0500
  • 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 P799-0500 available by request