D073-0034 Screening compound: N-[2-(2-methoxyethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]-N-(4-methyl-1-phthalazinyl)amine
Chemical Structure Depiction of ChemDiv screening compound D073-0034
N-[2-(2-methoxyethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]-N-(4-methyl-1-phthalazinyl)amine
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
D073-0034
Molecular Formula
C22H24N6O (C22 H24 N6 O)
Compound Name
N-[2-(2-methoxyethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]-N-(4-methyl-1-phthalazinyl)amine
IUPAC name
11-(2-methoxyethyl)-N-(4-methylphthalazin-1-yl)-1811-triazatricyclo[7.4.0.0^{27}]trideca-2(7)358-tetraen-5-amine
SMILES
Cc(c1ccccc11)nnc1Nc(cc1)cc2c1n(CCN(CCOC)C1)c1n2
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
388.47
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
2.795
Distribution Coefficient, logD
2.303
Water Solubility, LogSw
-3.24
Polar Surface Area
55.107
Acid Dissociation Constant (pKa)
18.56
Base Dissociation Constant (pKb)
7.72
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
31.80
D073-0034 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Anti-infective Library (19449 compounds)
Antiviral Library (67538 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
DGK Inhibitors Library (10558 compounds)
Immunological Library (6760 compounds)
Protein Kinases Inhibitors Library (36801 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)
Included in 1.7M Stock Database
- Infections
- Immune system
- animal
- Antiviral
- Infections
- Immune system
- Cancer
- Digestive system
- Hemic and lymphatic
- Skin
- Metabolic
- Immune system
- Immune system
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Nervous system
- Hemic and lymphatic
- Cardiovascular
- Cancer
- Digestive system
- Female
- Hemic and lymphatic
- Metabolic
- Immune system
- Kinases
- Kinases
- Others
References: we are preparing a list of scientific research reports with D073-0034 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)