C679-2670 Screening compound: 7-{[(4-chlorophenyl)sulfanyl]methyl}-2-(furan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C679-2670 Screening compound: 7-{[(4-chlorophenyl)sulfanyl]methyl}-2-(furan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
C679-2670 Screening compound: 7-{[(4-chlorophenyl)sulfanyl]methyl}-2-(furan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-2670
7-{[(4-chlorophenyl)sulfanyl]methyl}-2-(furan-2-yl)-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

C679-2670

Molecular Formula

C16H10ClN3O2S2 (C16 H10 ClN3 O2 S2)

Compound Name

7-{[(4-chlorophenyl)sulfanyl]methyl}-2-(furan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

IUPAC name

7-{[(4-chlorophenyl)sulfanyl]methyl}-2-(furan-2-yl)-5H-[134]thiadiazolo[32-a]pyrimidin-5-one

SMILES

O=C1N2N=C(c3ccco3)SC2=NC(CSc(cc2)ccc2Cl)=C1

InChI

InChI=1S/C16H10ClN3O2S2/c17-10-3-5-12(6-4-10)23-9-11-8-14(21)20-16(18-11)24-15(19-20)13-2-1-7-22-13/h1-8H,9H2

InChI Key

OOHLMYOPLMZMIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781443

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.767

Distribution Coefficient, logD

3.767

Water Solubility, LogSw

-4.39

Polar Surface Area

46.578

Acid Dissociation Constant (pKa)

28.31

Base Dissociation Constant (pKb)

2.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

C679-2670 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Purinergic Library (3321 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C679-2670 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-2670?
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What is the minimum amount of C679-2670 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-2670
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-2670
  • 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 C679-2670 available by request