F595-0380 Screening compound: 2-{[7-(4-ethoxyphenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
Chemical Structure Depiction of ChemDiv screening compound F595-0380
2-{[7-(4-ethoxyphenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-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
F595-0380
Molecular Formula
C23H25N5O2S (C23 H25 N5 O2 S)
Compound Name
2-{[7-(4-ethoxyphenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
IUPAC name
2-{[7-(4-ethoxyphenyl)-5H6H7H-imidazo[21-c][124]triazol-3-yl]sulfanyl}-1-(1234-tetrahydroquinolin-1-yl)ethan-1-one
SMILES
CCOc(cc1)ccc1N(CCn12)c2nnc1SCC(N(CCC1)c2c1cccc2)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
435.55
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
4.141
Distribution Coefficient, logD
4.109
Water Solubility, LogSw
-3.97
Polar Surface Area
48.903
Acid Dissociation Constant (pKa)
18.65
Base Dissociation Constant (pKb)
6.28
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
34.80
F595-0380 in Drug Discovery
Included in Screening Libraries
Antiviral HBV Library (10007 compounds)
Antiviral Library (67538 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
GPCR Targeted Library (31838 compounds)
Immunological Library (6760 compounds)
Protein Kinases Inhibitors Library (36801 compounds)
Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)
Ion Channels Focused Library (26372 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Antiviral
- Infections
- Immune system
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Immune system
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Nervous system
- Hemic and lymphatic
- Cardiovascular
- Cancer
- Digestive system
- Female
- Hemic and lymphatic
- Metabolic
- Immune system
- Nervous system
- Cardiovascular
- GPCR
- Kinases
- Others
- Ion Channels
- Receptor's ligands
References: we are preparing a list of scientific research reports with F595-0380 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)