C679-2228 Screening compound: 7-({[(furan-2-yl)methyl]sulfanyl}methyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C679-2228 Screening compound: 7-({[(furan-2-yl)methyl]sulfanyl}methyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
C679-2228 Screening compound: 7-({[(furan-2-yl)methyl]sulfanyl}methyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-2228
7-({[(furan-2-yl)methyl]sulfanyl}methyl)-3-methyl-5H-[1,3]thiazolo[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

C679-2228

Molecular Formula

C13H12N2O2S2 (C13 H12 N2 O2 S2)

Compound Name

7-({[(furan-2-yl)methyl]sulfanyl}methyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

IUPAC name

7-({[(furan-2-yl)methyl]sulfanyl}methyl)-3-methyl-5H-[13]thiazolo[32-a]pyrimidin-5-one

SMILES

CC(N12)=CSC2=NC(CSCc2ccco2)=CC1=O

InChI

InChI=1S/C13H12N2O2S2/c1-9-6-19-13-14-10(5-12(16)15(9)13)7-18-8-11-3-2-4-17-11/h2-6H,7-8H2,1H3

InChI Key

MVIRRXJABJPTOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.516

Distribution Coefficient, logD

2.516

Water Solubility, LogSw

-2.45

Polar Surface Area

33.336

Acid Dissociation Constant (pKa)

26.87

Base Dissociation Constant (pKb)

0.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

C679-2228 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 C679-2228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-2228?
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What is the minimum amount of C679-2228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-2228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-2228
  • 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 C679-2228 available by request