M451-2608 Screening compound: 8-[(2-ethylphenyl)sulfanyl]-2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

M451-2608 Screening compound: 8-[(2-ethylphenyl)sulfanyl]-2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
M451-2608 Screening compound: 8-[(2-ethylphenyl)sulfanyl]-2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M451-2608
8-[(2-ethylphenyl)sulfanyl]-2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-3-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

M451-2608

Molecular Formula

C25H25FN6O2S (C25 H25 FN6 O2 S)

Compound Name

8-[(2-ethylphenyl)sulfanyl]-2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

IUPAC name

8-[(2-ethylphenyl)sulfanyl]-2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2H3H-[124]triazolo[43-a]pyrazin-3-one

SMILES

CCc(cccc1)c1SC(C1=NN2CC(N(CC3)CCN3c(cc3)ccc3F)=O)=NC=CN1C2=O

InChI

InChI=1S/C25H25FN6O2S/c1-2-18-5-3-4-6-21(18)35-24-23-28-32(25(34)31(23)12-11-27-24)17-22(33)30-15-13-29(14-16-30)20-9-7-19(26)8-10-20/h3-12H,2,13-17H2,1H3

InChI Key

WMJWMPQKUZIMFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22593150

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.157

Distribution Coefficient, logD

3.157

Water Solubility, LogSw

-3.11

Polar Surface Area

59.090

Acid Dissociation Constant (pKa)

19.16

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

M451-2608 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with M451-2608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M451-2608?
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What is the minimum amount of M451-2608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M451-2608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M451-2608
  • 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 M451-2608 available by request