8018-4189 Screening compound: 3-(5-chloro-2-methoxyphenyl)[1,2,4]triazolo[3,4-a]phthalazine
Chemical Structure Depiction of ChemDiv screening compound 8018-4189
3-(5-chloro-2-methoxyphenyl)[1,2,4]triazolo[3,4-a]phthalazine
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
8018-4189
Molecular Formula
C16H11ClN4O (C16 H11 ClN4 O)
Compound Name
3-(5-chloro-2-methoxyphenyl)[1,2,4]triazolo[3,4-a]phthalazine
IUPAC name
3-(5-chloro-2-methoxyphenyl)-[124]triazolo[34-a]phthalazine
SMILES
COc(ccc(Cl)c1)c1-c1nnc2n1ncc1c2cccc1
InChI
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
310.74
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
3.251
Distribution Coefficient, logD
3.251
Water Solubility, LogSw
-3.67
Polar Surface Area
40.526
Acid Dissociation Constant (pKa)
31.59
Base Dissociation Constant (pKb)
4.44
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
6.25
8018-4189 in Drug Discovery
Included in Screening Libraries
Antiparasite Library (23996 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Epitranscriptome Focused Small Molecule Library (20952 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Infections
- Immune system
- animal
- Eye
- Nervous system
- Hemic and lymphatic
- Congenital
- Metabolic
- Agro
- Agro
- GPCR
- Ion Channels
- Receptor's ligands
- Epigenetic
References: we are preparing a list of scientific research reports with 8018-4189 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)