C200-5711 Screening compound: methyl 2-[2-(3,4-difluoroanilino)-2-oxoethyl]-1,1-dioxo-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate

C200-5711 Screening compound: methyl 2-[2-(3,4-difluoroanilino)-2-oxoethyl]-1,1-dioxo-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
C200-5711 Screening compound: methyl 2-[2-(3,4-difluoroanilino)-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 C200-5711
methyl 2-[2-(3,4-difluoroanilino)-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

C200-5711

Molecular Formula

C24H18F2N2O5S (C24 H18 F2 N2 O5 S)

Compound Name

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

IUPAC name

methyl 2-{[(34-difluorophenyl)carbamoyl]methyl}-11-dioxo-4-phenyl-2H-1lambda62-benzothiazine-3-carboxylate

SMILES

COC(C(N1CC(Nc(cc2)cc(F)c2F)=O)=C(c2ccccc2)c(cccc2)c2S1(=O)=O)=O

InChI

InChI=1S/C24H18F2N2O5S/c1-33-24(30)23-22(15-7-3-2-4-8-15)17-9-5-6-10-20(17)34(31,32)28(23)14-21(29)27-16-11-12-18(25)19(26)13-16/h2-13H,14H2,1H3,(H,27,29)

InChI Key

ULJKPZYNYGEEOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.48

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

4.534

Distribution Coefficient, logD

4.530

Water Solubility, LogSw

-4.36

Polar Surface Area

75.724

Acid Dissociation Constant (pKa)

9.44

Base Dissociation Constant (pKb)

-2.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

C200-5711 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C200-5711 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-5711?
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What is the minimum amount of C200-5711 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-5711
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-5711
  • 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 C200-5711 available by request