C679-2672 Screening compound: 2-(furan-2-yl)-7-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C679-2672 Screening compound: 2-(furan-2-yl)-7-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
C679-2672 Screening compound: 2-(furan-2-yl)-7-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-2672
2-(furan-2-yl)-7-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]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

C679-2672

Molecular Formula

C13H9N5O2S3 (C13 H9 N5 O2 S3)

Compound Name

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

IUPAC name

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

SMILES

Cc1nnc(SCC(N=C2SC(c3ccco3)=NN22)=CC2=O)s1

InChI

InChI=1S/C13H9N5O2S3/c1-7-15-16-13(22-7)21-6-8-5-10(19)18-12(14-8)23-11(17-18)9-3-2-4-20-9/h2-5H,6H2,1H3

InChI Key

CGBRDPGYOONIQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.742

Distribution Coefficient, logD

1.742

Water Solubility, LogSw

-2.19

Polar Surface Area

69.249

Acid Dissociation Constant (pKa)

23.70

Base Dissociation Constant (pKb)

2.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

C679-2672 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C679-2672 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-2672?
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What is the minimum amount of C679-2672 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-2672
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-2672
  • 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 C679-2672 available by request