T744-0114 Screening compound: 2-chloro-6-fluorobenzyl 2,5-dimethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate

T744-0114 Screening compound: 2-chloro-6-fluorobenzyl 2,5-dimethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate
T744-0114 Screening compound: 2-chloro-6-fluorobenzyl 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 T744-0114
2-chloro-6-fluorobenzyl 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

T744-0114

Molecular Formula

C13H12ClFN2O4S (C13 H12 ClFN2 O4 S)

Compound Name

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

IUPAC name

(2-chloro-6-fluorophenyl)methyl 25-dimethyl-11-dioxo-2H-1lambda626-thiadiazine-4-carboxylate

SMILES

CC(C(C(OCc(c(F)ccc1)c1Cl)=O)=CN1C)=NS1(=O)=O

InChI

InChI=1S/C13H12ClFN2O4S/c1-8-9(6-17(2)22(19,20)16-8)13(18)21-7-10-11(14)4-3-5-12(10)15/h3-6H,7H2,1-2H3

InChI Key

IYIJHWVENILQQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27623230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.77

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.629

Distribution Coefficient, logD

1.629

Water Solubility, LogSw

-2.70

Polar Surface Area

64.583

Acid Dissociation Constant (pKa)

26.42

Base Dissociation Constant (pKb)

-4.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

T744-0114 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Eccentric PPI Library (11937 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
  • Proteases

References: we are preparing a list of scientific research reports with T744-0114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T744-0114?
Check Price and Availability of T744-0114, 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 T744-0114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T744-0114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T744-0114
  • 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 T744-0114 available by request