D239-0002 Screening compound: 3-benzoyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl propionate

D239-0002 Screening compound: 3-benzoyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl propionate
D239-0002 Screening compound: 3-benzoyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl propionate alternative view

Chemical Structure Depiction of ChemDiv screening compound D239-0002
3-benzoyl-1,1-dioxo-2-propyl-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

D239-0002

Molecular Formula

C21H21NO5S (C21 H21 NO5 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

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

InChI Key

AGDUDBDPMMNHGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14815024

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

3.929

Distribution Coefficient, logD

3.929

Water Solubility, LogSw

-4.02

Polar Surface Area

65.761

Acid Dissociation Constant (pKa)

22.45

Base Dissociation Constant (pKb)

-9.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with D239-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D239-0002?
Check Price and Availability of D239-0002, 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 D239-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D239-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D239-0002
  • 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 D239-0002 available by request