C679-2122 Screening compound: 3-methyl-7-({[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C679-2122 Screening compound: 3-methyl-7-({[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
C679-2122 Screening compound: 3-methyl-7-({[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-2122
3-methyl-7-({[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}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

C679-2122

Molecular Formula

C17H14N4O2S2 (C17 H14 N4 O2 S2)

Compound Name

3-methyl-7-({[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

IUPAC name

3-methyl-7-({[5-(3-methylphenyl)-134-oxadiazol-2-yl]sulfanyl}methyl)-5H-[13]thiazolo[32-a]pyrimidin-5-one

SMILES

CC(N12)=CSC2=NC(CSc2nnc(-c3cc(C)ccc3)o2)=CC1=O

InChI

InChI=1S/C17H14N4O2S2/c1-10-4-3-5-12(6-10)15-19-20-17(23-15)25-9-13-7-14(22)21-11(2)8-24-16(21)18-13/h3-8H,9H2,1-2H3

InChI Key

GDRBDSWBNPWGTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781308

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.724

Distribution Coefficient, logD

2.724

Water Solubility, LogSw

-2.83

Polar Surface Area

55.684

Acid Dissociation Constant (pKa)

23.98

Base Dissociation Constant (pKb)

-2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

C679-2122 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C679-2122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-2122?
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What is the minimum amount of C679-2122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-2122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-2122
  • 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 C679-2122 available by request