D316-0065 Screening compound: 3-acetyl-2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl acetate

D316-0065 Screening compound: 3-acetyl-2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl acetate
D316-0065 Screening compound: 3-acetyl-2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D316-0065
3-acetyl-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

D316-0065

Molecular Formula

C16H19NO5S (C16 H19 NO5 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C16H19NO5S/c1-4-5-10-17-15(11(2)18)16(22-12(3)19)13-8-6-7-9-14(13)23(17,20)21/h6-9H,4-5,10H2,1-3H3

InChI Key

WXFFLAQGQIUJGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14818604

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.200

Distribution Coefficient, logD

2.200

Water Solubility, LogSw

-2.83

Polar Surface Area

66.817

Acid Dissociation Constant (pKa)

22.98

Base Dissociation Constant (pKb)

-8.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with D316-0065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D316-0065?
Check Price and Availability of D316-0065, 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 D316-0065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D316-0065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D316-0065
  • 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 D316-0065 available by request