G861-0163 Screening compound: 6-[2-(3-chlorophenyl)-2-oxoethyl]-2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
Chemical Structure Depiction of ChemDiv screening compound G861-0163
6-[2-(3-chlorophenyl)-2-oxoethyl]-2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
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
G861-0163
Molecular Formula
C26H25ClN6O4 (C26 H25 ClN6 O4)
Compound Name
6-[2-(3-chlorophenyl)-2-oxoethyl]-2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
IUPAC name
6-[2-(3-chlorophenyl)-2-oxoethyl]-2-[2-(35-dimethyl-1H-pyrazol-1-yl)ethyl]-89-dimethoxy-5H6H-[124]triazolo[15-c]quinazolin-5-one
SMILES
Cc1cc(C)nn1CCc(nc1-c(cc(c(OC)c2)OC)c2N2CC(c3cccc(Cl)c3)=O)nn1C2=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
520.98
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
10
Partition Coefficient, logP
3.529
Distribution Coefficient, logD
3.528
Water Solubility, LogSw
-3.92
Polar Surface Area
82.579
Acid Dissociation Constant (pKa)
17.45
Base Dissociation Constant (pKb)
4.98
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
26.90
G861-0163 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Anti-Inflammatory Library (24602 compounds)
Anticancer Library (62698 compounds)
Antiviral Library (67538 compounds)
Protein Arginine Methyltransferases Library (27925 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
- Immune system
- Cancer
- Antiviral
- Infections
- Immune system
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Metabolic
- Others
- Epigenetic
References: we are preparing a list of scientific research reports with G861-0163 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)