M617-1246 Screening compound: 2-cyclohexyl-N~8~-(4-methylbenzyl)-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole-8-carboxamide

M617-1246 Screening compound: 2-cyclohexyl-N~8~-(4-methylbenzyl)-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole-8-carboxamide
M617-1246 Screening compound: 2-cyclohexyl-N~8~-(4-methylbenzyl)-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M617-1246
2-cyclohexyl-N~8~-(4-methylbenzyl)-1-oxo-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

M617-1246

Molecular Formula

C25H28N4O2 (C25 H28 N4 O2)

Compound Name

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

IUPAC name

11-cyclohexyl-N-[(4-methylphenyl)methyl]-10-oxo-1811-triazatricyclo[7.4.0.0^{27}]trideca-2468-tetraene-5-carboxamide

SMILES

Cc1ccc(CNC(c(cc2)cc3c2n(CCN(C2CCCCC2)C2=O)c2n3)=O)cc1

InChI

InChI=1S/C25H28N4O2/c1-17-7-9-18(10-8-17)16-26-24(30)19-11-12-22-21(15-19)27-23-25(31)28(13-14-29(22)23)20-5-3-2-4-6-20/h7-12,15,20H,2-6,13-14,16H2,1H3,(H,26,30)

InChI Key

ZTEINQQMNGHQSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27549159

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.326

Distribution Coefficient, logD

4.326

Water Solubility, LogSw

-4.18

Polar Surface Area

50.683

Acid Dissociation Constant (pKa)

11.75

Base Dissociation Constant (pKb)

1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

M617-1246 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with M617-1246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M617-1246?
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What is the minimum amount of M617-1246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M617-1246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M617-1246
  • 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 M617-1246 available by request