M617-1536 Screening compound: N~8~-(4-chlorobenzyl)-1-oxo-2-(2-pyridylmethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole-8-carboxamide

M617-1536 Screening compound: N~8~-(4-chlorobenzyl)-1-oxo-2-(2-pyridylmethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole-8-carboxamide
M617-1536 Screening compound: N~8~-(4-chlorobenzyl)-1-oxo-2-(2-pyridylmethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M617-1536
N~8~-(4-chlorobenzyl)-1-oxo-2-(2-pyridylmethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole-8-carboxamide

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

M617-1536

Molecular Formula

C24H20ClN5O2 (C24 H20 ClN5 O2)

Compound Name

N~8~-(4-chlorobenzyl)-1-oxo-2-(2-pyridylmethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole-8-carboxamide

IUPAC name

N-[(4-chlorophenyl)methyl]-10-oxo-11-[(pyridin-2-yl)methyl]-1811-triazatricyclo[7.4.0.0^{27}]trideca-2468-tetraene-5-carboxamide

SMILES

O=C(c(cc1)cc2c1n(CCN(Cc1ncccc1)C1=O)c1n2)NCc(cc1)ccc1Cl

InChI

InChI=1S/C24H20ClN5O2/c25-18-7-4-16(5-8-18)14-27-23(31)17-6-9-21-20(13-17)28-22-24(32)29(11-12-30(21)22)15-19-3-1-2-10-26-19/h1-10,13H,11-12,14-15H2,(H,27,31)

InChI Key

OZWPPMRQRRFIRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27549198

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.994

Distribution Coefficient, logD

2.994

Water Solubility, LogSw

-3.66

Polar Surface Area

60.839

Acid Dissociation Constant (pKa)

11.33

Base Dissociation Constant (pKb)

4.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

M617-1536 in Drug Discovery

Included in Screening Libraries

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with M617-1536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M617-1536?
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What is the minimum amount of M617-1536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M617-1536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M617-1536
  • 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 M617-1536 available by request