C679-3558 Screening compound: 7-[(3,5-dimethylphenoxy)methyl]-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C679-3558 Screening compound: 7-[(3,5-dimethylphenoxy)methyl]-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
C679-3558 Screening compound: 7-[(3,5-dimethylphenoxy)methyl]-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-3558
7-[(3,5-dimethylphenoxy)methyl]-2-propyl-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

C679-3558

Molecular Formula

C17H19N3O2S (C17 H19 N3 O2 S)

Compound Name

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

IUPAC name

7-[(35-dimethylphenoxy)methyl]-2-propyl-5H-[134]thiadiazolo[32-a]pyrimidin-5-one

SMILES

CCCC(SC1=NC(COc2cc(C)cc(C)c2)=C2)=NN1C2=O

InChI

InChI=1S/C17H19N3O2S/c1-4-5-15-19-20-16(21)9-13(18-17(20)23-15)10-22-14-7-11(2)6-12(3)8-14/h6-9H,4-5,10H2,1-3H3

InChI Key

QYVMRNHKCOSVHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781566

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.060

Distribution Coefficient, logD

4.056

Water Solubility, LogSw

-4.09

Polar Surface Area

45.673

Acid Dissociation Constant (pKa)

23.95

Base Dissociation Constant (pKb)

5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

C679-3558 in Drug Discovery

Included in Screening Libraries

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C679-3558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-3558?
Check Price and Availability of C679-3558, 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 C679-3558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-3558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-3558
  • 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 C679-3558 available by request