F419-0123 Screening compound: methyl 6-chloro-2-[2-(3-fluoroanilino)-2-oxoethyl]-1,1-dioxo-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate

F419-0123 Screening compound: methyl 6-chloro-2-[2-(3-fluoroanilino)-2-oxoethyl]-1,1-dioxo-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
F419-0123 Screening compound: methyl 6-chloro-2-[2-(3-fluoroanilino)-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 F419-0123
methyl 6-chloro-2-[2-(3-fluoroanilino)-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

F419-0123

Molecular Formula

C24H18ClFN2O5S (C24 H18 ClFN2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

COC(C(N1CC(Nc2cc(F)ccc2)=O)=C(c2ccccc2)c(cc(cc2)Cl)c2S1(=O)=O)=O

InChI

InChI=1S/C24H18ClFN2O5S/c1-33-24(30)23-22(15-6-3-2-4-7-15)19-12-16(25)10-11-20(19)34(31,32)28(23)14-21(29)27-18-9-5-8-17(26)13-18/h2-13H,14H2,1H3,(H,27,29)

InChI Key

XQSCLCWJLKKUQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14954176

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.93

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.189

Distribution Coefficient, logD

5.189

Water Solubility, LogSw

-5.48

Polar Surface Area

75.724

Acid Dissociation Constant (pKa)

11.23

Base Dissociation Constant (pKb)

-2.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

References: we are preparing a list of scientific research reports with F419-0123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F419-0123?
Check Price and Availability of F419-0123, 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 F419-0123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F419-0123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F419-0123
  • 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 F419-0123 available by request