M617-1144 Screening compound: 2-benzyl-N~8~-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole-8-carboxamide

M617-1144 Screening compound: 2-benzyl-N~8~-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole-8-carboxamide
M617-1144 Screening compound: 2-benzyl-N~8~-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M617-1144
2-benzyl-N~8~-[4-(methylsulfanyl)phenyl]-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

M617-1144

Molecular Formula

C25H22N4O2S (C25 H22 N4 O2 S)

Compound Name

2-benzyl-N~8~-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole-8-carboxamide

IUPAC name

11-benzyl-N-[4-(methylsulfanyl)phenyl]-10-oxo-1811-triazatricyclo[7.4.0.0^{27}]trideca-2468-tetraene-5-carboxamide

SMILES

CSc(cc1)ccc1NC(c(cc1)cc2c1n(CCN(Cc1ccccc1)C1=O)c1n2)=O

InChI

InChI=1S/C25H22N4O2S/c1-32-20-10-8-19(9-11-20)26-24(30)18-7-12-22-21(15-18)27-23-25(31)28(13-14-29(22)23)16-17-5-3-2-4-6-17/h2-12,15H,13-14,16H2,1H3,(H,26,30)

InChI Key

ADUSHXIOBVCPJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27549102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.476

Distribution Coefficient, logD

4.476

Water Solubility, LogSw

-4.25

Polar Surface Area

49.974

Acid Dissociation Constant (pKa)

10.92

Base Dissociation Constant (pKb)

2.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

M617-1144 in Drug Discovery

Included in Screening Libraries

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with M617-1144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M617-1144?
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What is the minimum amount of M617-1144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M617-1144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M617-1144
  • 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 M617-1144 available by request