D239-0145 Screening compound: 3-benzoyl-2-(2-ethoxy-2-oxoethyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl propionate

D239-0145 Screening compound: 3-benzoyl-2-(2-ethoxy-2-oxoethyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl propionate
D239-0145 Screening compound: 3-benzoyl-2-(2-ethoxy-2-oxoethyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl propionate alternative view

Chemical Structure Depiction of ChemDiv screening compound D239-0145
3-benzoyl-2-(2-ethoxy-2-oxoethyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl propionate

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

D239-0145

Molecular Formula

C22H21NO7S (C22 H21 NO7 S)

Compound Name

3-benzoyl-2-(2-ethoxy-2-oxoethyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl propionate

IUPAC name

3-benzoyl-2-(2-ethoxy-2-oxoethyl)-11-dioxo-2H-1lambda62-benzothiazin-4-yl propanoate

SMILES

CCC(OC(c1c2cccc1)=C(C(c1ccccc1)=O)N(CC(OCC)=O)S2(=O)=O)=O

InChI

InChI=1S/C22H21NO7S/c1-3-18(24)30-22-16-12-8-9-13-17(16)31(27,28)23(14-19(25)29-4-2)20(22)21(26)15-10-6-5-7-11-15/h5-13H,3-4,14H2,1-2H3

InChI Key

DGKJEJGFFZHSNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10700398

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.48

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.226

Distribution Coefficient, logD

3.226

Water Solubility, LogSw

-3.77

Polar Surface Area

85.942

Acid Dissociation Constant (pKa)

21.82

Base Dissociation Constant (pKb)

-11.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with D239-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D239-0145?
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What is the minimum amount of D239-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D239-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D239-0145
  • 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 D239-0145 available by request