D717-0196 Screening compound: 5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxylic acid

D717-0196 Screening compound: 5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxylic acid
D717-0196 Screening compound: 5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D717-0196
5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxylic acid

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

D717-0196

Molecular Formula

C12H12N2O5S (C12 H12 N2 O5 S)

Compound Name

5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxylic acid

IUPAC name

5-(4-methoxyphenyl)-2-methyl-11-dioxo-2H-1lambda626-thiadiazine-3-carboxylic acid

SMILES

CN(C(C(O)=O)=CC(c(cc1)ccc1OC)=N1)S1(=O)=O

InChI

InChI=1S/C12H12N2O5S/c1-14-11(12(15)16)7-10(13-20(14,17)18)8-3-5-9(19-2)6-4-8/h3-7H,1-2H3,(H,15,16)

InChI Key

FXQVNPZQVGKHHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08106853

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.3

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.946

Distribution Coefficient, logD

-3.735

Water Solubility, LogSw

-2.02

Polar Surface Area

81.179

Acid Dissociation Constant (pKa)

2.72

Base Dissociation Constant (pKb)

-3.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with D717-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D717-0196?
Check Price and Availability of D717-0196, 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 D717-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D717-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D717-0196
  • 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 D717-0196 available by request