D316-0140 Screening compound: 3-acetyl-2-isopropyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-chlorobenzoate

D316-0140 Screening compound: 3-acetyl-2-isopropyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-chlorobenzoate
D316-0140 Screening compound: 3-acetyl-2-isopropyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-chlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D316-0140
3-acetyl-2-isopropyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-chlorobenzoate

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

D316-0140

Molecular Formula

C20H18ClNO5S (C20 H18 ClNO5 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)N(C(C(C)=O)=C(c1c2cccc1)OC(c(cc1)ccc1Cl)=O)S2(=O)=O

InChI

InChI=1S/C20H18ClNO5S/c1-12(2)22-18(13(3)23)19(16-6-4-5-7-17(16)28(22,25)26)27-20(24)14-8-10-15(21)11-9-14/h4-12H,1-3H3

InChI Key

PNJIVKLSLDJTHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14818659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.89

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.162

Distribution Coefficient, logD

4.162

Water Solubility, LogSw

-4.75

Polar Surface Area

66.581

Acid Dissociation Constant (pKa)

24.32

Base Dissociation Constant (pKb)

-9.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with D316-0140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D316-0140?
Check Price and Availability of D316-0140, 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 D316-0140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D316-0140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D316-0140
  • 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 D316-0140 available by request