C679-3742 Screening compound: 7-[(4-chloro-3-methylphenoxy)methyl]-2-(4-methoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C679-3742 Screening compound: 7-[(4-chloro-3-methylphenoxy)methyl]-2-(4-methoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
C679-3742 Screening compound: 7-[(4-chloro-3-methylphenoxy)methyl]-2-(4-methoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-3742
7-[(4-chloro-3-methylphenoxy)methyl]-2-(4-methoxyphenyl)-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

C679-3742

Molecular Formula

C20H16ClN3O3S (C20 H16 ClN3 O3 S)

Compound Name

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

IUPAC name

7-[(4-chloro-3-methylphenoxy)methyl]-2-(4-methoxyphenyl)-5H-[134]thiadiazolo[32-a]pyrimidin-5-one

SMILES

Cc(cc(cc1)OCC(N=C2SC(c(cc3)ccc3OC)=NN22)=CC2=O)c1Cl

InChI

InChI=1S/C20H16ClN3O3S/c1-12-9-16(7-8-17(12)21)27-11-14-10-18(25)24-20(22-14)28-19(23-24)13-3-5-15(26-2)6-4-13/h3-10H,11H2,1-2H3

InChI Key

DKXVKFUJBQGONZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781589

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.88

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

4.686

Distribution Coefficient, logD

4.686

Water Solubility, LogSw

-4.88

Polar Surface Area

53.042

Acid Dissociation Constant (pKa)

28.31

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

C679-3742 in Drug Discovery

Included in Screening Libraries

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

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 C679-3742 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-3742?
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What is the minimum amount of C679-3742 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-3742
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-3742
  • 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 C679-3742 available by request