D466-0032 Screening compound: 8-chloro-2-propyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole

D466-0032 Screening compound: 8-chloro-2-propyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole
D466-0032 Screening compound: 8-chloro-2-propyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D466-0032
8-chloro-2-propyl-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

D466-0032

Molecular Formula

C13H16ClN3 (C13 H16 ClN3)

Compound Name

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

IUPAC name

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

SMILES

CCCN1Cc2nc(cc(cc3)Cl)c3n2CC1

InChI

InChI=1S/C13H16ClN3/c1-2-5-16-6-7-17-12-4-3-10(14)8-11(12)15-13(17)9-16/h3-4,8H,2,5-7,9H2,1H3

InChI Key

FQAKBKYXCJUSNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27588133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

249.74

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

2.963

Distribution Coefficient, logD

2.689

Water Solubility, LogSw

-3.27

Polar Surface Area

15.164

Acid Dissociation Constant (pKa)

23.08

Base Dissociation Constant (pKb)

7.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

D466-0032 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Fragments Library (11262 compounds)

Targeted Diversity Library (40567 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Structure:
  • Fragments
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D466-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D466-0032?
Check Price and Availability of D466-0032, 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 D466-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D466-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D466-0032
  • 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 D466-0032 available by request