M617-0869 Screening compound: N~8~-(1,3-benzodioxol-5-ylmethyl)-2-isopropyl-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole-8-carboxamide

M617-0869 Screening compound: N~8~-(1,3-benzodioxol-5-ylmethyl)-2-isopropyl-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole-8-carboxamide
M617-0869 Screening compound: N~8~-(1,3-benzodioxol-5-ylmethyl)-2-isopropyl-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M617-0869
N~8~-(1,3-benzodioxol-5-ylmethyl)-2-isopropyl-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

M617-0869

Molecular Formula

C22H22N4O4 (C22 H22 N4 O4)

Compound Name

N~8~-(1,3-benzodioxol-5-ylmethyl)-2-isopropyl-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole-8-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-10-oxo-11-(propan-2-yl)-1811-triazatricyclo[7.4.0.0^{27}]trideca-2468-tetraene-5-carboxamide

SMILES

CC(C)N(CCn1c2nc3c1ccc(C(NCc(cc1)cc4c1OCO4)=O)c3)C2=O

InChI

InChI=1S/C22H22N4O4/c1-13(2)25-7-8-26-17-5-4-15(10-16(17)24-20(26)22(25)28)21(27)23-11-14-3-6-18-19(9-14)30-12-29-18/h3-6,9-10,13H,7-8,11-12H2,1-2H3,(H,23,27)

InChI Key

OKHJVWQRVNDPBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27549064

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.795

Distribution Coefficient, logD

2.795

Water Solubility, LogSw

-3.30

Polar Surface Area

68.569

Acid Dissociation Constant (pKa)

13.26

Base Dissociation Constant (pKb)

0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

M617-0869 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

DGK Inhibitors Library (10558 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:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with M617-0869 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M617-0869?
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What is the minimum amount of M617-0869 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M617-0869
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M617-0869
  • 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 M617-0869 available by request