C200-5707 Screening compound: methyl 2-[2-(2,5-dimethylanilino)-2-oxoethyl]-1,1-dioxo-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate

C200-5707 Screening compound: methyl 2-[2-(2,5-dimethylanilino)-2-oxoethyl]-1,1-dioxo-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
C200-5707 Screening compound: methyl 2-[2-(2,5-dimethylanilino)-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 C200-5707
methyl 2-[2-(2,5-dimethylanilino)-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

C200-5707

Molecular Formula

C26H24N2O5S (C26 H24 N2 O5 S)

Compound Name

methyl 2-[2-(2,5-dimethylanilino)-2-oxoethyl]-1,1-dioxo-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate

IUPAC name

methyl 2-{[(25-dimethylphenyl)carbamoyl]methyl}-11-dioxo-4-phenyl-2H-1lambda62-benzothiazine-3-carboxylate

SMILES

Cc1cc(NC(CN(C(C(OC)=O)=C(c2ccccc2)c2c3cccc2)S3(=O)=O)=O)c(C)cc1

InChI

InChI=1S/C26H24N2O5S/c1-17-13-14-18(2)21(15-17)27-23(29)16-28-25(26(30)33-3)24(19-9-5-4-6-10-19)20-11-7-8-12-22(20)34(28,31)32/h4-15H,16H2,1-3H3,(H,27,29)

InChI Key

LFAYMYUNCINVSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26961674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.55

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

4.218

Distribution Coefficient, logD

4.218

Water Solubility, LogSw

-4.28

Polar Surface Area

75.026

Acid Dissociation Constant (pKa)

13.06

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

C200-5707 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 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 C200-5707 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-5707?
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What is the minimum amount of C200-5707 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-5707
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-5707
  • 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 C200-5707 available by request