M617-0334 Screening compound: 2-ethyl-1-oxo-N~8~-[4-(trifluoromethyl)benzyl]-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole-8-carboxamide

M617-0334 Screening compound: 2-ethyl-1-oxo-N~8~-[4-(trifluoromethyl)benzyl]-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole-8-carboxamide
M617-0334 Screening compound: 2-ethyl-1-oxo-N~8~-[4-(trifluoromethyl)benzyl]-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M617-0334
2-ethyl-1-oxo-N~8~-[4-(trifluoromethyl)benzyl]-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

M617-0334

Molecular Formula

C21H19F3N4O2 (C21 H19 F3 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

CCN(CCn1c2nc3c1ccc(C(NCc1ccc(C(F)(F)F)cc1)=O)c3)C2=O

InChI

InChI=1S/C21H19F3N4O2/c1-2-27-9-10-28-17-8-5-14(11-16(17)26-18(28)20(27)30)19(29)25-12-13-3-6-15(7-4-13)21(22,23)24/h3-8,11H,2,9-10,12H2,1H3,(H,25,29)

InChI Key

CPHUGGHAAGKPKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27549014

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.310

Distribution Coefficient, logD

3.310

Water Solubility, LogSw

-3.54

Polar Surface Area

51.292

Acid Dissociation Constant (pKa)

11.75

Base Dissociation Constant (pKb)

0.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

M617-0334 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)

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 M617-0334 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M617-0334?
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What is the minimum amount of M617-0334 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M617-0334
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M617-0334
  • 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 M617-0334 available by request