C200-5710 Screening compound: methyl 2-[2-(2-chloroanilino)-2-oxoethyl]-1,1-dioxo-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate

C200-5710 Screening compound: methyl 2-[2-(2-chloroanilino)-2-oxoethyl]-1,1-dioxo-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
C200-5710 Screening compound: methyl 2-[2-(2-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 C200-5710
methyl 2-[2-(2-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

C200-5710

Molecular Formula

C24H19ClN2O5S (C24 H19 ClN2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

COC(C(N1CC(Nc(cccc2)c2Cl)=O)=C(c2ccccc2)c(cccc2)c2S1(=O)=O)=O

InChI

InChI=1S/C24H19ClN2O5S/c1-32-24(29)23-22(16-9-3-2-4-10-16)17-11-5-8-14-20(17)33(30,31)27(23)15-21(28)26-19-13-7-6-12-18(19)25/h2-14H,15H2,1H3,(H,26,28)

InChI Key

HEDMHTSWQCKZBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26961676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.94

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

4.228

Distribution Coefficient, logD

4.228

Water Solubility, LogSw

-4.45

Polar Surface Area

75.026

Acid Dissociation Constant (pKa)

11.23

Base Dissociation Constant (pKb)

-2.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

C200-5710 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C200-5710 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-5710?
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What is the minimum amount of C200-5710 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-5710
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-5710
  • 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 C200-5710 available by request