M460-4436 Screening compound: 2-{8-[4-(2-methylphenyl)piperazin-1-yl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl}-N-(4-phenylbutan-2-yl)acetamide

M460-4436 Screening compound: 2-{8-[4-(2-methylphenyl)piperazin-1-yl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl}-N-(4-phenylbutan-2-yl)acetamide
M460-4436 Screening compound: 2-{8-[4-(2-methylphenyl)piperazin-1-yl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl}-N-(4-phenylbutan-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M460-4436
2-{8-[4-(2-methylphenyl)piperazin-1-yl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl}-N-(4-phenylbutan-2-yl)acetamide

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

M460-4436

Molecular Formula

C28H33N7O2 (C28 H33 N7 O2)

Compound Name

2-{8-[4-(2-methylphenyl)piperazin-1-yl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl}-N-(4-phenylbutan-2-yl)acetamide

IUPAC name

2-{8-[4-(2-methylphenyl)piperazin-1-yl]-3-oxo-2H3H-[124]triazolo[43-a]pyrazin-2-yl}-N-(4-phenylbutan-2-yl)acetamide

SMILES

CC(CCc1ccccc1)NC(CN1N=C(C(N(CC2)CCN2c2c(C)cccc2)=NC=C2)N2C1=O)=O

InChI

InChI=1S/C28H33N7O2/c1-21-8-6-7-11-24(21)32-16-18-33(19-17-32)26-27-31-35(28(37)34(27)15-14-29-26)20-25(36)30-22(2)12-13-23-9-4-3-5-10-23/h3-11,14-15,22H,12-13,16-20H2,1-2H3,(H,30,36)/t22-/m0/s1

InChI Key

YYXXAQWLTNIOGE-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD22593518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.441

Distribution Coefficient, logD

3.441

Water Solubility, LogSw

-3.68

Polar Surface Area

68.932

Acid Dissociation Constant (pKa)

15.77

Base Dissociation Constant (pKb)

3.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

M460-4436 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • 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 M460-4436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M460-4436?
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What is the minimum amount of M460-4436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M460-4436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M460-4436
  • 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 M460-4436 available by request