D097-0041 Screening compound: 3-benzoyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-fluorobenzoate

D097-0041 Screening compound: 3-benzoyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-fluorobenzoate
D097-0041 Screening compound: 3-benzoyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-fluorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D097-0041
3-benzoyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-fluorobenzoate

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

D097-0041

Molecular Formula

C25H20FNO5S (C25 H20 FNO5 S)

Compound Name

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

IUPAC name

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

SMILES

CCCN(C(C(c1ccccc1)=O)=C(c1c2cccc1)OC(c(cc1)ccc1F)=O)S2(=O)=O

InChI

InChI=1S/C25H20FNO5S/c1-2-16-27-22(23(28)17-8-4-3-5-9-17)24(20-10-6-7-11-21(20)33(27,30)31)32-25(29)18-12-14-19(26)15-13-18/h3-15H,2,16H2,1H3

InChI Key

MWVDXSSHTLJNSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811810

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.950

Distribution Coefficient, logD

4.950

Water Solubility, LogSw

-4.70

Polar Surface Area

66.085

Acid Dissociation Constant (pKa)

27.96

Base Dissociation Constant (pKb)

-11.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

D097-0041 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 D097-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D097-0041?
Check Price and Availability of D097-0041, 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 D097-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D097-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D097-0041
  • 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 D097-0041 available by request