D717-0195 Screening compound: methyl 2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxylate

D717-0195 Screening compound: methyl 2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxylate
D717-0195 Screening compound: methyl 2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D717-0195
methyl 2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxylate

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

D717-0195

Molecular Formula

C13H14N2O4S (C13 H14 N2 O4 S)

Compound Name

methyl 2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxylate

IUPAC name

methyl 2-methyl-5-(4-methylphenyl)-11-dioxo-2H-1lambda626-thiadiazine-3-carboxylate

SMILES

Cc(cc1)ccc1C(C=C(C(OC)=O)N1C)=NS1(=O)=O

InChI

InChI=1S/C13H14N2O4S/c1-9-4-6-10(7-5-9)11-8-12(13(16)19-3)15(2)20(17,18)14-11/h4-8H,1-3H3

InChI Key

HMCVGZOVXOKIPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08106852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.224

Distribution Coefficient, logD

2.224

Water Solubility, LogSw

-2.49

Polar Surface Area

66.401

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

D717-0195 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Fragments Library (11262 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Structure:
  • Fragments
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D717-0195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D717-0195?
Check Price and Availability of D717-0195, 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 D717-0195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D717-0195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D717-0195
  • 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 D717-0195 available by request