M617-0461 Screening compound: N~8~-(2-bromobenzyl)-2-ethyl-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole-8-carboxamide

M617-0461 Screening compound: N~8~-(2-bromobenzyl)-2-ethyl-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole-8-carboxamide
M617-0461 Screening compound: N~8~-(2-bromobenzyl)-2-ethyl-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M617-0461
N~8~-(2-bromobenzyl)-2-ethyl-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

M617-0461

Molecular Formula

C20H19BrN4O2 (C20 H19 BrN4 O2)

Compound Name

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

IUPAC name

N-[(2-bromophenyl)methyl]-11-ethyl-10-oxo-1811-triazatricyclo[7.4.0.0^{27}]trideca-2468-tetraene-5-carboxamide

SMILES

CCN(CCn1c2nc3c1ccc(C(NCc(cccc1)c1Br)=O)c3)C2=O

InChI

InChI=1S/C20H19BrN4O2/c1-2-24-9-10-25-17-8-7-13(11-16(17)23-18(25)20(24)27)19(26)22-12-14-5-3-4-6-15(14)21/h3-8,11H,2,9-10,12H2,1H3,(H,22,26)

InChI Key

VFVLBMLBLRXULV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27549041

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.3

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

3.309

Distribution Coefficient, logD

3.309

Water Solubility, LogSw

-3.49

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

25.00

M617-0461 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 M617-0461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M617-0461?
Check Price and Availability of M617-0461, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of M617-0461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M617-0461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M617-0461
  • 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 M617-0461 available by request