R152-1168 Screening compound: ethyl 2-{7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl}acetate

R152-1168 Screening compound: ethyl 2-{7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl}acetate
R152-1168 Screening compound: ethyl 2-{7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound R152-1168
ethyl 2-{7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl}acetate

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

R152-1168

Molecular Formula

C10H11N3O3S (C10 H11 N3 O3 S)

Compound Name

ethyl 2-{7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl}acetate

IUPAC name

ethyl 2-{7-methyl-5-oxo-5H-[134]thiadiazolo[32-a]pyrimidin-2-yl}acetate

SMILES

CCOC(CC(SC1=NC(C)=C2)=NN1C2=O)=O

InChI

InChI=1S/C10H11N3O3S/c1-3-16-9(15)5-7-12-13-8(14)4-6(2)11-10(13)17-7/h4H,3,5H2,1-2H3

InChI Key

MQMVOCWCDBOYOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00620685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

253.28

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

0.807

Distribution Coefficient, logD

0.806

Water Solubility, LogSw

-1.28

Polar Surface Area

57.998

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

4.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

R152-1168 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

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

Cysteine Proteases Inhibitors Library (7839 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Agro:
  • Agro
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with R152-1168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R152-1168?
Check Price and Availability of R152-1168, 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 R152-1168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R152-1168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R152-1168
  • 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 R152-1168 available by request