D316-0133 Screening compound: 3-acetyl-2-isopropyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-furoate

D316-0133 Screening compound: 3-acetyl-2-isopropyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-furoate
D316-0133 Screening compound: 3-acetyl-2-isopropyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-furoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D316-0133
3-acetyl-2-isopropyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-furoate

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

D316-0133

Molecular Formula

C18H17NO6S (C18 H17 NO6 S)

Compound Name

3-acetyl-2-isopropyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-furoate

IUPAC name

3-acetyl-11-dioxo-2-(propan-2-yl)-2H-1lambda62-benzothiazin-4-yl furan-2-carboxylate

SMILES

CC(C)N(C(C(C)=O)=C(c1c2cccc1)OC(c1ccco1)=O)S2(=O)=O

InChI

InChI=1S/C18H17NO6S/c1-11(2)19-16(12(3)20)17(25-18(21)14-8-6-10-24-14)13-7-4-5-9-15(13)26(19,22)23/h4-11H,1-3H3

InChI Key

HEEXNWIPEXMBDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14818652

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.691

Distribution Coefficient, logD

2.691

Water Solubility, LogSw

-3.40

Polar Surface Area

75.160

Acid Dissociation Constant (pKa)

24.32

Base Dissociation Constant (pKb)

-9.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with D316-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D316-0133?
Check Price and Availability of D316-0133, 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 D316-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D316-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D316-0133
  • 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 D316-0133 available by request