D097-0036 Screening compound: 3-benzoyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-phenoxyacetate

D097-0036 Screening compound: 3-benzoyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-phenoxyacetate
D097-0036 Screening compound: 3-benzoyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-phenoxyacetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D097-0036
3-benzoyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-phenoxyacetate

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

D097-0036

Molecular Formula

C26H23NO6S (C26 H23 NO6 S)

Compound Name

3-benzoyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-phenoxyacetate

IUPAC name

3-benzoyl-11-dioxo-2-propyl-2H-1lambda62-benzothiazin-4-yl 2-phenoxyacetate

SMILES

CCCN(C(C(c1ccccc1)=O)=C(c1c2cccc1)OC(COc1ccccc1)=O)S2(=O)=O

InChI

InChI=1S/C26H23NO6S/c1-2-17-27-24(25(29)19-11-5-3-6-12-19)26(21-15-9-10-16-22(21)34(27,30)31)33-23(28)18-32-20-13-7-4-8-14-20/h3-16H,2,17-18H2,1H3

InChI Key

GOJRLUKIQLMOJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811805

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.540

Distribution Coefficient, logD

4.540

Water Solubility, LogSw

-4.38

Polar Surface Area

72.989

Acid Dissociation Constant (pKa)

23.58

Base Dissociation Constant (pKb)

-9.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

D097-0036 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Protein Arginine Methyltransferases Library (27925 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 D097-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D097-0036?
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What is the minimum amount of D097-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D097-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D097-0036
  • 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 D097-0036 available by request