D466-0040 Screening compound: 2-benzyl-8-chloro-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole

D466-0040 Screening compound: 2-benzyl-8-chloro-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole
D466-0040 Screening compound: 2-benzyl-8-chloro-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D466-0040
2-benzyl-8-chloro-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole

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

D466-0040

Molecular Formula

C17H16ClN3 (C17 H16 ClN3)

Compound Name

2-benzyl-8-chloro-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole

IUPAC name

11-benzyl-5-chloro-1811-triazatricyclo[7.4.0.0^{27}]trideca-2(7)358-tetraene

SMILES

Clc(cc1)cc2c1n(CCN(Cc1ccccc1)C1)c1n2

InChI

InChI=1S/C17H16ClN3/c18-14-6-7-16-15(10-14)19-17-12-20(8-9-21(16)17)11-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2

InChI Key

CAXONAIWYYDROZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27588137

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.79

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.672

Distribution Coefficient, logD

3.635

Water Solubility, LogSw

-3.89

Polar Surface Area

14.914

Acid Dissociation Constant (pKa)

22.77

Base Dissociation Constant (pKb)

6.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

D466-0040 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS BBB Library (22607 compounds)

DGK Inhibitors Library (10558 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with D466-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D466-0040?
Check Price and Availability of D466-0040, 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 D466-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D466-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D466-0040
  • 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 D466-0040 available by request