D044-0071 Screening compound: N~1~-[2-(2-methoxyethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]-2-phenoxyacetamide

D044-0071 Screening compound: N~1~-[2-(2-methoxyethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]-2-phenoxyacetamide
D044-0071 Screening compound: N~1~-[2-(2-methoxyethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D044-0071
N~1~-[2-(2-methoxyethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]-2-phenoxyacetamide

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

D044-0071

Molecular Formula

C21H24N4O3 (C21 H24 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

COCCN1Cc2nc(cc(cc3)NC(COc4ccccc4)=O)c3n2CC1

InChI

InChI=1S/C21H24N4O3/c1-27-12-11-24-9-10-25-19-8-7-16(13-18(19)23-20(25)14-24)22-21(26)15-28-17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3,(H,22,26)

InChI Key

LIRYYORBODPVIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06092761

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.483

Distribution Coefficient, logD

2.448

Water Solubility, LogSw

-2.95

Polar Surface Area

53.883

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

6.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D044-0071 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D044-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D044-0071?
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What is the minimum amount of D044-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D044-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D044-0071
  • 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 D044-0071 available by request