D319-0717 Screening compound: 3,5-dimethylphenyl 4-methyl-1,2,3-thiadiazole-5-carboxylate

D319-0717 Screening compound: 3,5-dimethylphenyl 4-methyl-1,2,3-thiadiazole-5-carboxylate
D319-0717 Screening compound: 3,5-dimethylphenyl 4-methyl-1,2,3-thiadiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D319-0717
3,5-dimethylphenyl 4-methyl-1,2,3-thiadiazole-5-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

D319-0717

Molecular Formula

C12H12N2O2S (C12 H12 N2 O2 S)

Compound Name

3,5-dimethylphenyl 4-methyl-1,2,3-thiadiazole-5-carboxylate

IUPAC name

35-dimethylphenyl 4-methyl-123-thiadiazole-5-carboxylate

SMILES

Cc1c(C(Oc2cc(C)cc(C)c2)=O)snn1

InChI

InChI=1S/C12H12N2O2S/c1-7-4-8(2)6-10(5-7)16-12(15)11-9(3)13-14-17-11/h4-6H,1-3H3

InChI Key

UURFXEUROXMKAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08545999

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

248.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.000

Distribution Coefficient, logD

3.000

Water Solubility, LogSw

-3.12

Polar Surface Area

43.060

Acid Dissociation Constant (pKa)

26.02

Base Dissociation Constant (pKb)

-5.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D319-0717 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D319-0717 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D319-0717?
Check Price and Availability of D319-0717, 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 D319-0717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D319-0717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D319-0717
  • 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 D319-0717 available by request