D239-0023 Screening compound: 3-benzoyl-2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl acetate

D239-0023 Screening compound: 3-benzoyl-2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl acetate
D239-0023 Screening compound: 3-benzoyl-2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D239-0023
3-benzoyl-2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 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

D239-0023

Molecular Formula

C21H21NO5S (C21 H21 NO5 S)

Compound Name

3-benzoyl-2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl acetate

IUPAC name

3-benzoyl-2-butyl-11-dioxo-2H-1lambda62-benzothiazin-4-yl acetate

SMILES

CCCCN(C(C(c1ccccc1)=O)=C(c1c2cccc1)OC(C)=O)S2(=O)=O

InChI

InChI=1S/C21H21NO5S/c1-3-4-14-22-19(20(24)16-10-6-5-7-11-16)21(27-15(2)23)17-12-8-9-13-18(17)28(22,25)26/h5-13H,3-4,14H2,1-2H3

InChI Key

MYTKUIALGFSFCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14815028

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.47

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

3.776

Distribution Coefficient, logD

3.776

Water Solubility, LogSw

-3.98

Polar Surface Area

66.458

Acid Dissociation Constant (pKa)

22.98

Base Dissociation Constant (pKb)

-9.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

D239-0023 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 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

References: we are preparing a list of scientific research reports with D239-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D239-0023?
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What is the minimum amount of D239-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D239-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D239-0023
  • 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 D239-0023 available by request