D097-0022 Screening compound: 3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 3,4-dimethoxybenzoate

D097-0022 Screening compound: 3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 3,4-dimethoxybenzoate
D097-0022 Screening compound: 3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 3,4-dimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D097-0022
3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 3,4-dimethoxybenzoate

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

D097-0022

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 3,4-dimethoxybenzoate

IUPAC name

3-benzoyl-2-ethyl-11-dioxo-2H-1lambda62-benzothiazin-4-yl 34-dimethoxybenzoate

SMILES

CCN(C(C(c1ccccc1)=O)=C(c1c2cccc1)OC(c(cc1)cc(OC)c1OC)=O)S2(=O)=O

InChI

InChI=1S/C26H23NO7S/c1-4-27-23(24(28)17-10-6-5-7-11-17)25(19-12-8-9-13-22(19)35(27,30)31)34-26(29)18-14-15-20(32-2)21(16-18)33-3/h5-16H,4H2,1-3H3

InChI Key

LJCOKHRRNCCURA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811795

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

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.922

Distribution Coefficient, logD

3.922

Water Solubility, LogSw

-4.05

Polar Surface Area

81.092

Acid Dissociation Constant (pKa)

28.26

Base Dissociation Constant (pKb)

-11.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

D097-0022 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D097-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D097-0022?
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What is the minimum amount of D097-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D097-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D097-0022
  • 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 D097-0022 available by request