D316-0298 Screening compound: 1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-bromobenzoate

D316-0298 Screening compound: 1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-bromobenzoate
D316-0298 Screening compound: 1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-bromobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D316-0298
1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-bromobenzoate

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

D316-0298

Molecular Formula

C18H16BrNO4S (C18 H16 BrNO4 S)

Compound Name

1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-bromobenzoate

IUPAC name

11-dioxo-2-propyl-2H-1lambda62-benzothiazin-4-yl 4-bromobenzoate

SMILES

CCCN(C=C(c1c2cccc1)OC(c(cc1)ccc1Br)=O)S2(=O)=O

InChI

InChI=1S/C18H16BrNO4S/c1-2-11-20-12-16(15-5-3-4-6-17(15)25(20,22)23)24-18(21)13-7-9-14(19)10-8-13/h3-10,12H,2,11H2,1H3

InChI Key

DGNIJMZVCUVDCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14818678

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.039

Distribution Coefficient, logD

4.039

Water Solubility, LogSw

-4.16

Polar Surface Area

51.481

Acid Dissociation Constant (pKa)

27.96

Base Dissociation Constant (pKb)

-11.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with D316-0298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D316-0298?
Check Price and Availability of D316-0298, 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 D316-0298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D316-0298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D316-0298
  • 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 D316-0298 available by request