D044-0078 Screening compound: N~1~-[2-(2-methoxyethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]-2-[4-methyl-1-oxo-2(1H)-phthalazinyl]acetamide

D044-0078 Screening compound: N~1~-[2-(2-methoxyethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]-2-[4-methyl-1-oxo-2(1H)-phthalazinyl]acetamide
D044-0078 Screening compound: N~1~-[2-(2-methoxyethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]-2-[4-methyl-1-oxo-2(1H)-phthalazinyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D044-0078
N~1~-[2-(2-methoxyethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]-2-[4-methyl-1-oxo-2(1H)-phthalazinyl]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

D044-0078

Molecular Formula

C24H26N6O3 (C24 H26 N6 O3)

Compound Name

N~1~-[2-(2-methoxyethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]-2-[4-methyl-1-oxo-2(1H)-phthalazinyl]acetamide

IUPAC name

N-[11-(2-methoxyethyl)-1811-triazatricyclo[7.4.0.0^{27}]trideca-2(7)358-tetraen-5-yl]-2-(4-methyl-1-oxo-12-dihydrophthalazin-2-yl)acetamide

SMILES

CC(c1c2cccc1)=NN(CC(Nc(cc1)cc3c1n(CCN(CCOC)C1)c1n3)=O)C2=O

InChI

InChI=1S/C24H26N6O3/c1-16-18-5-3-4-6-19(18)24(32)30(27-16)15-23(31)25-17-7-8-21-20(13-17)26-22-14-28(11-12-33-2)9-10-29(21)22/h3-8,13H,9-12,14-15H2,1-2H3,(H,25,31)

InChI Key

GQEGQQHMBRRYRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06014204

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.892

Distribution Coefficient, logD

1.858

Water Solubility, LogSw

-2.98

Polar Surface Area

73.057

Acid Dissociation Constant (pKa)

12.91

Base Dissociation Constant (pKb)

6.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D044-0078 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Angiogenesis library (14822 compounds)

Antiviral Library (67538 compounds)

DGK Inhibitors Library (10558 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:
  • Cancer
  • 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 D044-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D044-0078?
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What is the minimum amount of D044-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D044-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D044-0078
  • 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 D044-0078 available by request