G856-5881 Screening compound: N-[2-(3-methoxyphenyl)ethyl]-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine
Chemical Structure Depiction of ChemDiv screening compound G856-5881
N-[2-(3-methoxyphenyl)ethyl]-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-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
G856-5881
Molecular Formula
C14H16N6O (C14 H16 N6 O)
Compound Name
N-[2-(3-methoxyphenyl)ethyl]-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine
IUPAC name
N-[2-(3-methoxyphenyl)ethyl]-3-methyl-3H-[123]triazolo[45-d]pyrimidin-7-amine
SMILES
Cn1nnc2c1ncnc2NCCc1cccc(OC)c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
284.32
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
1.420
Distribution Coefficient, logD
1.420
Water Solubility, LogSw
-1.74
Polar Surface Area
65.921
Acid Dissociation Constant (pKa)
16.67
Base Dissociation Constant (pKb)
2.98
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
28.60
G856-5881 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Antiviral Annotated Library (21441 compounds)
Protein-Protein Interaction Library (218420 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Chemokine Receptor-Targeted Library (18382 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
- PPI modulators
- Receptor's ligands
- Immune system
References: we are preparing a list of scientific research reports with G856-5881 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)