D239-0133 Screening compound: 3-benzoyl-2-(2-methoxy-2-oxoethyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-methylbenzoate

D239-0133 Screening compound: 3-benzoyl-2-(2-methoxy-2-oxoethyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-methylbenzoate
D239-0133 Screening compound: 3-benzoyl-2-(2-methoxy-2-oxoethyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D239-0133
3-benzoyl-2-(2-methoxy-2-oxoethyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-methylbenzoate

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

D239-0133

Molecular Formula

C26H21NO7S (C26 H21 NO7 S)

Compound Name

3-benzoyl-2-(2-methoxy-2-oxoethyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-methylbenzoate

IUPAC name

3-benzoyl-2-(2-methoxy-2-oxoethyl)-11-dioxo-2H-1lambda62-benzothiazin-4-yl 4-methylbenzoate

SMILES

Cc(cc1)ccc1C(OC(c1c2cccc1)=C(C(c1ccccc1)=O)N(CC(OC)=O)S2(=O)=O)=O

InChI

InChI=1S/C26H21NO7S/c1-17-12-14-19(15-13-17)26(30)34-25-20-10-6-7-11-21(20)35(31,32)27(16-22(28)33-2)23(25)24(29)18-8-4-3-5-9-18/h3-15H,16H2,1-2H3

InChI Key

AQUISOAXAXRXJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14815041

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.52

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.107

Distribution Coefficient, logD

4.107

Water Solubility, LogSw

-4.35

Polar Surface Area

86.685

Acid Dissociation Constant (pKa)

21.24

Base Dissociation Constant (pKb)

-13.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

D239-0133 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Protein Arginine Methyltransferases Library (27925 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
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D239-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D239-0133?
Check Price and Availability of D239-0133, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D239-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D239-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D239-0133
  • 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 D239-0133 available by request