D316-0363 Screening compound: 2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-methoxybenzoate

D316-0363 Screening compound: 2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-methoxybenzoate
D316-0363 Screening compound: 2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D316-0363
2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-methoxybenzoate

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

D316-0363

Molecular Formula

C23H19NO5S (C23 H19 NO5 S)

Compound Name

2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-methoxybenzoate

IUPAC name

2-benzyl-11-dioxo-2H-1lambda62-benzothiazin-4-yl 4-methoxybenzoate

SMILES

COc(cc1)ccc1C(OC(c1c2cccc1)=CN(Cc1ccccc1)S2(=O)=O)=O

InChI

InChI=1S/C23H19NO5S/c1-28-19-13-11-18(12-14-19)23(25)29-21-16-24(15-17-7-3-2-4-8-17)30(26,27)22-10-6-5-9-20(21)22/h2-14,16H,15H2,1H3

InChI Key

OZNXBSDYRLEWFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14818716

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.894

Distribution Coefficient, logD

3.894

Water Solubility, LogSw

-4.08

Polar Surface Area

58.775

Acid Dissociation Constant (pKa)

28.16

Base Dissociation Constant (pKb)

-13.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

References: we are preparing a list of scientific research reports with D316-0363 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D316-0363?
Check Price and Availability of D316-0363, 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 D316-0363 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D316-0363
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D316-0363
  • 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 D316-0363 available by request