D319-0721 Screening compound: 4-(propan-2-yl)phenyl 4-methyl-1,2,3-thiadiazole-5-carboxylate

D319-0721 Screening compound: 4-(propan-2-yl)phenyl 4-methyl-1,2,3-thiadiazole-5-carboxylate
D319-0721 Screening compound: 4-(propan-2-yl)phenyl 4-methyl-1,2,3-thiadiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D319-0721
4-(propan-2-yl)phenyl 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

D319-0721

Molecular Formula

C13H14N2O2S (C13 H14 N2 O2 S)

Compound Name

4-(propan-2-yl)phenyl 4-methyl-1,2,3-thiadiazole-5-carboxylate

IUPAC name

4-(propan-2-yl)phenyl 4-methyl-123-thiadiazole-5-carboxylate

SMILES

CC(C)c(cc1)ccc1OC(c1c(C)nns1)=O

InChI

InChI=1S/C13H14N2O2S/c1-8(2)10-4-6-11(7-5-10)17-13(16)12-9(3)14-15-18-12/h4-8H,1-3H3

InChI Key

VCIJETNHKSUKEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08545071

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.555

Distribution Coefficient, logD

3.555

Water Solubility, LogSw

-3.70

Polar Surface Area

43.060

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

-5.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

D319-0721 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D319-0721 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D319-0721?
Check Price and Availability of D319-0721, 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 D319-0721 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D319-0721
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D319-0721
  • 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 D319-0721 available by request