D073-0057 Screening compound: N-[2-(1-phenylethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]methanesulfonamide

D073-0057 Screening compound: N-[2-(1-phenylethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]methanesulfonamide
D073-0057 Screening compound: N-[2-(1-phenylethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D073-0057
N-[2-(1-phenylethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]methanesulfonamide

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

D073-0057

Molecular Formula

C19H22N4O2S (C19 H22 N4 O2 S)

Compound Name

N-[2-(1-phenylethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]methanesulfonamide

IUPAC name

N-[11-(1-phenylethyl)-1811-triazatricyclo[7.4.0.0^{27}]trideca-2(7)358-tetraen-5-yl]methanesulfonamide

SMILES

CC(c1ccccc1)N1Cc2nc(cc(cc3)NS(C)(=O)=O)c3n2CC1

InChI

InChI=1S/C19H22N4O2S/c1-14(15-6-4-3-5-7-15)22-10-11-23-18-9-8-16(21-26(2,24)25)12-17(18)20-19(23)13-22/h3-9,12,14,21H,10-11,13H2,1-2H3/t14-/m0/s1

InChI Key

GLKOCNVIMGSYIJ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD06015114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.645

Distribution Coefficient, logD

2.585

Water Solubility, LogSw

-3.20

Polar Surface Area

56.453

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

6.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

D073-0057 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

DGK Inhibitors Library (10558 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D073-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D073-0057?
Check Price and Availability of D073-0057, 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 D073-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D073-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D073-0057
  • 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 D073-0057 available by request