C679-3544 Screening compound: 7-[(4-methylphenoxy)methyl]-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C679-3544 Screening compound: 7-[(4-methylphenoxy)methyl]-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
C679-3544 Screening compound: 7-[(4-methylphenoxy)methyl]-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-3544
7-[(4-methylphenoxy)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

C679-3544

Molecular Formula

C16H17N3O2S (C16 H17 N3 O2 S)

Compound Name

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

IUPAC name

7-[(4-methylphenoxy)methyl]-2-propyl-5H-[134]thiadiazolo[32-a]pyrimidin-5-one

SMILES

CCCC(SC1=NC(COc2ccc(C)cc2)=C2)=NN1C2=O

InChI

InChI=1S/C16H17N3O2S/c1-3-4-14-18-19-15(20)9-12(17-16(19)22-14)10-21-13-7-5-11(2)6-8-13/h5-9H,3-4,10H2,1-2H3

InChI Key

FNXFAVLQLZEJFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781557

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.4

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

3.600

Distribution Coefficient, logD

3.596

Water Solubility, LogSw

-3.57

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

31.30

C679-3544 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 C679-3544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-3544?
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What is the minimum amount of C679-3544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-3544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-3544
  • 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 C679-3544 available by request