T744-0133 Screening compound: ethyl 2,5-dimethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate

T744-0133 Screening compound: ethyl 2,5-dimethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate
T744-0133 Screening compound: ethyl 2,5-dimethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound T744-0133
ethyl 2,5-dimethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-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

T744-0133

Molecular Formula

C8H12N2O4S (C8 H12 N2 O4 S)

Compound Name

ethyl 2,5-dimethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate

IUPAC name

ethyl 25-dimethyl-11-dioxo-2H-1lambda626-thiadiazine-4-carboxylate

SMILES

CCOC(C(C(C)=N1)=CN(C)S1(=O)=O)=O

InChI

InChI=1S/C8H12N2O4S/c1-4-14-8(11)7-5-10(3)15(12,13)9-6(7)2/h5H,4H2,1-3H3

InChI Key

GPARNABUPQIKRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27623244

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

232.26

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

-0.041

Distribution Coefficient, logD

-0.041

Water Solubility, LogSw

-1.12

Polar Surface Area

64.479

Acid Dissociation Constant (pKa)

26.42

Base Dissociation Constant (pKb)

-3.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

T744-0133 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with T744-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T744-0133?
Check Price and Availability of T744-0133, 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 T744-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T744-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T744-0133
  • 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 T744-0133 available by request