C200-5709 Screening compound: methyl 2-[2-(3-acetylanilino)-2-oxoethyl]-1,1-dioxo-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate

C200-5709 Screening compound: methyl 2-[2-(3-acetylanilino)-2-oxoethyl]-1,1-dioxo-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
C200-5709 Screening compound: methyl 2-[2-(3-acetylanilino)-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 C200-5709
methyl 2-[2-(3-acetylanilino)-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

C200-5709

Molecular Formula

C26H22N2O6S (C26 H22 N2 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CC(c1cccc(NC(CN(C(C(OC)=O)=C(c2ccccc2)c2c3cccc2)S3(=O)=O)=O)c1)=O

InChI

InChI=1S/C26H22N2O6S/c1-17(29)19-11-8-12-20(15-19)27-23(30)16-28-25(26(31)34-2)24(18-9-4-3-5-10-18)21-13-6-7-14-22(21)35(28,32)33/h3-15H,16H2,1-2H3,(H,27,30)

InChI Key

AFTPYXJACYGTDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727945

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.918

Distribution Coefficient, logD

3.918

Water Solubility, LogSw

-4.07

Polar Surface Area

89.550

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

-2.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

C200-5709 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 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 C200-5709 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-5709?
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What is the minimum amount of C200-5709 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-5709
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-5709
  • 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 C200-5709 available by request