C679-3518 Screening compound: 2-ethyl-7-[(3-methoxyphenoxy)methyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C679-3518 Screening compound: 2-ethyl-7-[(3-methoxyphenoxy)methyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
C679-3518 Screening compound: 2-ethyl-7-[(3-methoxyphenoxy)methyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-3518
2-ethyl-7-[(3-methoxyphenoxy)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

C679-3518

Molecular Formula

C15H15N3O3S (C15 H15 N3 O3 S)

Compound Name

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

IUPAC name

2-ethyl-7-[(3-methoxyphenoxy)methyl]-5H-[134]thiadiazolo[32-a]pyrimidin-5-one

SMILES

CCC(SC1=NC(COc2cc(OC)ccc2)=C2)=NN1C2=O

InChI

InChI=1S/C15H15N3O3S/c1-3-13-17-18-14(19)7-10(16-15(18)22-13)9-21-12-6-4-5-11(8-12)20-2/h4-8H,3,9H2,1-2H3

InChI Key

DJUAYAVRCXANMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781542

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.687

Distribution Coefficient, logD

2.681

Water Solubility, LogSw

-2.87

Polar Surface Area

53.217

Acid Dissociation Constant (pKa)

23.59

Base Dissociation Constant (pKb)

5.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

C679-3518 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 C679-3518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-3518?
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What is the minimum amount of C679-3518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-3518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-3518
  • 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 C679-3518 available by request