C679-2899 Screening compound: 2-(4-methoxyphenyl)-7-{[3-(trifluoromethyl)phenoxy]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C679-2899 Screening compound: 2-(4-methoxyphenyl)-7-{[3-(trifluoromethyl)phenoxy]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
C679-2899 Screening compound: 2-(4-methoxyphenyl)-7-{[3-(trifluoromethyl)phenoxy]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-2899
2-(4-methoxyphenyl)-7-{[3-(trifluoromethyl)phenoxy]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

C679-2899

Molecular Formula

C20H14F3N3O3S (C20 H14 F3 N3 O3 S)

Compound Name

2-(4-methoxyphenyl)-7-{[3-(trifluoromethyl)phenoxy]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

IUPAC name

2-(4-methoxyphenyl)-7-{[3-(trifluoromethyl)phenoxy]methyl}-5H-[134]thiadiazolo[32-a]pyrimidin-5-one

SMILES

COc(cc1)ccc1C(SC1=NC(COc2cc(C(F)(F)F)ccc2)=C2)=NN1C2=O

InChI

InChI=1S/C20H14F3N3O3S/c1-28-15-7-5-12(6-8-15)18-25-26-17(27)10-14(24-19(26)30-18)11-29-16-4-2-3-13(9-16)20(21,22)23/h2-10H,11H2,1H3

InChI Key

ATRPJAPKLLKZQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.230

Distribution Coefficient, logD

4.230

Water Solubility, LogSw

-4.53

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

15.00

C679-2899 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C679-2899 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-2899?
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What is the minimum amount of C679-2899 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-2899
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-2899
  • 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 C679-2899 available by request