F419-0127 Screening compound: methyl 6-chloro-2-[2-(3-chloroanilino)-2-oxoethyl]-1,1-dioxo-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate

F419-0127 Screening compound: methyl 6-chloro-2-[2-(3-chloroanilino)-2-oxoethyl]-1,1-dioxo-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
F419-0127 Screening compound: methyl 6-chloro-2-[2-(3-chloroanilino)-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 F419-0127
methyl 6-chloro-2-[2-(3-chloroanilino)-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

F419-0127

Molecular Formula

C24H18Cl2N2O5S (C24 H18 Cl2 N2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C24H18Cl2N2O5S/c1-33-24(30)23-22(15-6-3-2-4-7-15)19-13-17(26)10-11-20(19)34(31,32)28(23)14-21(29)27-18-9-5-8-16(25)12-18/h2-13H,14H2,1H3,(H,27,29)

InChI Key

VNFCTQLSRKFLAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14954180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.39

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

5.789

Distribution Coefficient, logD

5.789

Water Solubility, LogSw

-5.84

Polar Surface Area

75.724

Acid Dissociation Constant (pKa)

11.23

Base Dissociation Constant (pKb)

-2.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

F419-0127 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F419-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F419-0127?
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What is the minimum amount of F419-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F419-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F419-0127
  • 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 F419-0127 available by request