D073-0036 Screening compound: N~1~-[2-(1-phenylethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]acetamide

D073-0036 Screening compound: N~1~-[2-(1-phenylethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]acetamide
D073-0036 Screening compound: N~1~-[2-(1-phenylethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D073-0036
N~1~-[2-(1-phenylethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]acetamide

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

D073-0036

Molecular Formula

C20H22N4O (C20 H22 N4 O)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C20H22N4O/c1-14(16-6-4-3-5-7-16)23-10-11-24-19-9-8-17(21-15(2)25)12-18(19)22-20(24)13-23/h3-9,12,14H,10-11,13H2,1-2H3,(H,21,25)/t14-/m0/s1

InChI Key

NAMFTTPTHIIQRM-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD06001683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.940

Distribution Coefficient, logD

2.861

Water Solubility, LogSw

-3.22

Polar Surface Area

37.848

Acid Dissociation Constant (pKa)

12.74

Base Dissociation Constant (pKb)

6.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

D073-0036 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

CNS Annotated Library (688 compounds)

Human GPCR Annotated Library (5539 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:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D073-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D073-0036?
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What is the minimum amount of D073-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D073-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D073-0036
  • 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 D073-0036 available by request