C679-2892 Screening compound: 7-[(3,5-dimethylphenoxy)methyl]-2-(4-methoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C679-2892 Screening compound: 7-[(3,5-dimethylphenoxy)methyl]-2-(4-methoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
C679-2892 Screening compound: 7-[(3,5-dimethylphenoxy)methyl]-2-(4-methoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-2892
7-[(3,5-dimethylphenoxy)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

C679-2892

Molecular Formula

C21H19N3O3S (C21 H19 N3 O3 S)

Compound Name

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

IUPAC name

7-[(35-dimethylphenoxy)methyl]-2-(4-methoxyphenyl)-5H-[134]thiadiazolo[32-a]pyrimidin-5-one

SMILES

Cc1cc(OCC(N=C2SC(c(cc3)ccc3OC)=NN22)=CC2=O)cc(C)c1

InChI

InChI=1S/C21H19N3O3S/c1-13-8-14(2)10-18(9-13)27-12-16-11-19(25)24-21(22-16)28-20(23-24)15-4-6-17(26-3)7-5-15/h4-11H,12H2,1-3H3

InChI Key

AUFSRWLNJJSQNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781486

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.47

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

4.290

Distribution Coefficient, logD

4.290

Water Solubility, LogSw

-4.48

Polar Surface Area

53.042

Acid Dissociation Constant (pKa)

28.70

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

C679-2892 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 C679-2892 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-2892?
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What is the minimum amount of C679-2892 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-2892
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-2892
  • 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 C679-2892 available by request