T744-0090 Screening compound: (3,5-dimethyl-4-isoxazolyl)methyl 2-ethyl-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate

T744-0090 Screening compound: (3,5-dimethyl-4-isoxazolyl)methyl 2-ethyl-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate
T744-0090 Screening compound: (3,5-dimethyl-4-isoxazolyl)methyl 2-ethyl-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound T744-0090
(3,5-dimethyl-4-isoxazolyl)methyl 2-ethyl-5-methyl-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

T744-0090

Molecular Formula

C13H17N3O5S (C13 H17 N3 O5 S)

Compound Name

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

IUPAC name

(35-dimethyl-12-oxazol-4-yl)methyl 2-ethyl-5-methyl-11-dioxo-2H-1lambda626-thiadiazine-4-carboxylate

SMILES

CCN(C=C(C(OCc1c(C)onc1C)=O)C(C)=N1)S1(=O)=O

InChI

InChI=1S/C13H17N3O5S/c1-5-16-6-11(9(3)15-22(16,18)19)13(17)20-7-12-8(2)14-21-10(12)4/h6H,5,7H2,1-4H3

InChI Key

BYJLAJIPXQJRHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27623213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.36

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.388

Distribution Coefficient, logD

0.388

Water Solubility, LogSw

-1.38

Polar Surface Area

85.391

Acid Dissociation Constant (pKa)

26.12

Base Dissociation Constant (pKb)

-4.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

T744-0090 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Proteases
  • Kinases

References: we are preparing a list of scientific research reports with T744-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T744-0090?
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What is the minimum amount of T744-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T744-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T744-0090
  • 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 T744-0090 available by request