D466-0027 Screening compound: 6-chloro-2-(1-phenylethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole

D466-0027 Screening compound: 6-chloro-2-(1-phenylethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole
D466-0027 Screening compound: 6-chloro-2-(1-phenylethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D466-0027
6-chloro-2-(1-phenylethyl)-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

D466-0027

Molecular Formula

C18H18ClN3 (C18 H18 ClN3)

Compound Name

6-chloro-2-(1-phenylethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole

IUPAC name

3-chloro-11-(1-phenylethyl)-1811-triazatricyclo[7.4.0.0^{27}]trideca-2(7)358-tetraene

SMILES

CC(c1ccccc1)N1Cc2nc3cccc(Cl)c3n2CC1

InChI

InChI=1S/C18H18ClN3/c1-13(14-6-3-2-4-7-14)21-10-11-22-17(12-21)20-16-9-5-8-15(19)18(16)22/h2-9,13H,10-12H2,1H3/t13-/m0/s1

InChI Key

ZBQPKYJRDOTRDS-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14830133

Chemical and Physical Properties

Saltdata

2HBr

Molecular Weight

311.81

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.950

Distribution Coefficient, logD

3.897

Water Solubility, LogSw

-4.23

Polar Surface Area

14.362

Acid Dissociation Constant (pKa)

23.85

Base Dissociation Constant (pKb)

6.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

D466-0027 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Nervous system

References: we are preparing a list of scientific research reports with D466-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D466-0027?
Check Price and Availability of D466-0027, 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 D466-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D466-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D466-0027
  • 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 D466-0027 available by request