F419-0109 Screening compound: methyl 6-chloro-2-[2-(methylanilino)-2-oxoethyl]-1,1-dioxo-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate

F419-0109 Screening compound: methyl 6-chloro-2-[2-(methylanilino)-2-oxoethyl]-1,1-dioxo-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
F419-0109 Screening compound: methyl 6-chloro-2-[2-(methylanilino)-2-oxoethyl]-1,1-dioxo-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F419-0109
methyl 6-chloro-2-[2-(methylanilino)-2-oxoethyl]-1,1-dioxo-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate

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

F419-0109

Molecular Formula

C25H21ClN2O5S (C25 H21 ClN2 O5 S)

Compound Name

methyl 6-chloro-2-[2-(methylanilino)-2-oxoethyl]-1,1-dioxo-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate

IUPAC name

methyl 6-chloro-2-{[methyl(phenyl)carbamoyl]methyl}-11-dioxo-4-phenyl-2H-1lambda62-benzothiazine-3-carboxylate

SMILES

CN(C(CN(C(C(OC)=O)=C(c1ccccc1)c1c2ccc(Cl)c1)S2(=O)=O)=O)c1ccccc1

InChI

InChI=1S/C25H21ClN2O5S/c1-27(19-11-7-4-8-12-19)22(29)16-28-24(25(30)33-2)23(17-9-5-3-6-10-17)20-15-18(26)13-14-21(20)34(28,31)32/h3-15H,16H2,1-2H3

InChI Key

GNKZZMSSYXHBOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14954171

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.97

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.232

Distribution Coefficient, logD

4.232

Water Solubility, LogSw

-4.60

Polar Surface Area

67.687

Acid Dissociation Constant (pKa)

20.05

Base Dissociation Constant (pKb)

-2.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

F419-0109 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F419-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F419-0109?
Check Price and Availability of F419-0109, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F419-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F419-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F419-0109
  • 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 F419-0109 available by request