D466-0452 Screening compound: N~1~-[2-(3-methoxypropyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]-1-benzenesulfonamide

D466-0452 Screening compound: N~1~-[2-(3-methoxypropyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]-1-benzenesulfonamide
D466-0452 Screening compound: N~1~-[2-(3-methoxypropyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D466-0452
N~1~-[2-(3-methoxypropyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]-1-benzenesulfonamide

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

D466-0452

Molecular Formula

C20H24N4O3S (C20 H24 N4 O3 S)

Compound Name

N~1~-[2-(3-methoxypropyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]-1-benzenesulfonamide

IUPAC name

N-[11-(3-methoxypropyl)-1811-triazatricyclo[7.4.0.0^{27}]trideca-2(7)358-tetraen-5-yl]benzenesulfonamide

SMILES

COCCCN1Cc2nc(cc(cc3)NS(c4ccccc4)(=O)=O)c3n2CC1

InChI

InChI=1S/C20H24N4O3S/c1-27-13-5-10-23-11-12-24-19-9-8-16(14-18(19)21-20(24)15-23)22-28(25,26)17-6-3-2-4-7-17/h2-4,6-9,14,22H,5,10-13,15H2,1H3

InChI Key

SAAQAPARXGFSGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27588199

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

400.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.519

Distribution Coefficient, logD

2.304

Water Solubility, LogSw

-2.96

Polar Surface Area

64.156

Acid Dissociation Constant (pKa)

8.58

Base Dissociation Constant (pKb)

7.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

D466-0452 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

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

DGK Inhibitors Library (10558 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D466-0452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D466-0452?
Check Price and Availability of D466-0452, 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 D466-0452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D466-0452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D466-0452
  • 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 D466-0452 available by request