M451-2457 Screening compound: 8-(cyclohexylsulfanyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

M451-2457 Screening compound: 8-(cyclohexylsulfanyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
M451-2457 Screening compound: 8-(cyclohexylsulfanyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M451-2457
8-(cyclohexylsulfanyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-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

M451-2457

Molecular Formula

C23H28N6O2S (C23 H28 N6 O2 S)

Compound Name

8-(cyclohexylsulfanyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

IUPAC name

8-(cyclohexylsulfanyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2H3H-[124]triazolo[43-a]pyrazin-3-one

SMILES

O=C(CN1N=C(C(SC2CCCCC2)=NC=C2)N2C1=O)N(CC1)CCN1c1ccccc1

InChI

InChI=1S/C23H28N6O2S/c30-20(27-15-13-26(14-16-27)18-7-3-1-4-8-18)17-29-23(31)28-12-11-24-22(21(28)25-29)32-19-9-5-2-6-10-19/h1,3-4,7-8,11-12,19H,2,5-6,9-10,13-17H2

InChI Key

HDOILBKPHAGTTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22593145

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.772

Distribution Coefficient, logD

2.772

Water Solubility, LogSw

-2.90

Polar Surface Area

59.282

Acid Dissociation Constant (pKa)

19.16

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

M451-2457 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with M451-2457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M451-2457?
Check Price and Availability of M451-2457, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of M451-2457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M451-2457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M451-2457
  • 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 M451-2457 available by request