D097-0019 Screening compound: 3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-(4-methoxyphenoxy)acetate

D097-0019 Screening compound: 3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-(4-methoxyphenoxy)acetate
D097-0019 Screening compound: 3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-(4-methoxyphenoxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D097-0019
3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-(4-methoxyphenoxy)acetate

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

D097-0019

Molecular Formula

C26H23NO7S (C26 H23 NO7 S)

Compound Name

3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-(4-methoxyphenoxy)acetate

IUPAC name

3-benzoyl-2-ethyl-11-dioxo-2H-1lambda62-benzothiazin-4-yl 2-(4-methoxyphenoxy)acetate

SMILES

CCN(C(C(c1ccccc1)=O)=C(c1c2cccc1)OC(COc(cc1)ccc1OC)=O)S2(=O)=O

InChI

InChI=1S/C26H23NO7S/c1-3-27-24(25(29)18-9-5-4-6-10-18)26(21-11-7-8-12-22(21)35(27,30)31)34-23(28)17-33-20-15-13-19(32-2)14-16-20/h4-16H,3,17H2,1-2H3

InChI Key

QSAHJPFEVGKZEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811794

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.047

Distribution Coefficient, logD

4.047

Water Solubility, LogSw

-4.27

Polar Surface Area

80.279

Acid Dissociation Constant (pKa)

23.58

Base Dissociation Constant (pKb)

-9.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

D097-0019 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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 D097-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D097-0019?
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What is the minimum amount of D097-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D097-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D097-0019
  • 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 D097-0019 available by request