M617-1550 Screening compound: N~8~-(2,4-difluorobenzyl)-1-oxo-2-(2-pyridylmethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole-8-carboxamide

M617-1550 Screening compound: N~8~-(2,4-difluorobenzyl)-1-oxo-2-(2-pyridylmethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole-8-carboxamide
M617-1550 Screening compound: N~8~-(2,4-difluorobenzyl)-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 M617-1550
N~8~-(2,4-difluorobenzyl)-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

M617-1550

Molecular Formula

C24H19F2N5O2 (C24 H19 F2 N5 O2)

Compound Name

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

IUPAC name

N-[(24-difluorophenyl)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(ccc(F)c1)c1F

InChI

InChI=1S/C24H19F2N5O2/c25-17-6-4-16(19(26)12-17)13-28-23(32)15-5-7-21-20(11-15)29-22-24(33)30(9-10-31(21)22)14-18-3-1-2-8-27-18/h1-8,11-12H,9-10,13-14H2,(H,28,32)

InChI Key

DKELEHGAXMBTCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27549201

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.44

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

2.814

Distribution Coefficient, logD

2.813

Water Solubility, LogSw

-3.34

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

M617-1550 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with M617-1550 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M617-1550?
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What is the minimum amount of M617-1550 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M617-1550
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M617-1550
  • 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 M617-1550 available by request