C679-3054 Screening compound: 2-ethyl-7-({[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C679-3054 Screening compound: 2-ethyl-7-({[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
C679-3054 Screening compound: 2-ethyl-7-({[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-3054
2-ethyl-7-({[5-(2-fluorophenyl)-1,3,4-oxadiazol-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

C679-3054

Molecular Formula

C16H12FN5O2S2 (C16 H12 FN5 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CCC(SC1=NC(CSc2nnc(-c(cccc3)c3F)o2)=C2)=NN1C2=O

InChI

InChI=1S/C16H12FN5O2S2/c1-2-12-21-22-13(23)7-9(18-15(22)26-12)8-25-16-20-19-14(24-16)10-5-3-4-6-11(10)17/h3-7H,2,8H2,1H3

InChI Key

ZYLDSUCTABFEQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07680758

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.686

Distribution Coefficient, logD

2.683

Water Solubility, LogSw

-3.19

Polar Surface Area

68.272

Acid Dissociation Constant (pKa)

23.59

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

C679-3054 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 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 C679-3054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-3054?
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What is the minimum amount of C679-3054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-3054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-3054
  • 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 C679-3054 available by request