C679-2752 Screening compound: 7-[(3,4-dimethylphenoxy)methyl]-2-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C679-2752 Screening compound: 7-[(3,4-dimethylphenoxy)methyl]-2-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
C679-2752 Screening compound: 7-[(3,4-dimethylphenoxy)methyl]-2-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-2752
7-[(3,4-dimethylphenoxy)methyl]-2-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

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

C679-2752

Molecular Formula

C15H15N3O2S (C15 H15 N3 O2 S)

Compound Name

7-[(3,4-dimethylphenoxy)methyl]-2-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

IUPAC name

7-[(34-dimethylphenoxy)methyl]-2-methyl-5H-[134]thiadiazolo[32-a]pyrimidin-5-one

SMILES

CC(SC1=NC(COc2cc(C)c(C)cc2)=C2)=NN1C2=O

InChI

InChI=1S/C15H15N3O2S/c1-9-4-5-13(6-10(9)2)20-8-12-7-14(19)18-15(16-12)21-11(3)17-18/h4-7H,8H2,1-3H3

InChI Key

UDEHUCKVHKCINB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781459

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.305

Distribution Coefficient, logD

3.300

Water Solubility, LogSw

-3.41

Polar Surface Area

44.943

Acid Dissociation Constant (pKa)

24.12

Base Dissociation Constant (pKb)

5.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

C679-2752 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Purinergic Library (3321 compounds)

Targeted Diversity Library (40567 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
  • Metabolic
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C679-2752 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-2752?
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What is the minimum amount of C679-2752 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-2752
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-2752
  • 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 C679-2752 available by request