G198-0005 Screening compound: methyl 4-(benzyloxy)-2-(methylsulfanyl)-3-quinolinecarboxylate
Chemical Structure Depiction of ChemDiv screening compound G198-0005
methyl 4-(benzyloxy)-2-(methylsulfanyl)-3-quinolinecarboxylate
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
G198-0005
Molecular Formula
C19H17NO3S (C19 H17 NO3 S)
Compound Name
methyl 4-(benzyloxy)-2-(methylsulfanyl)-3-quinolinecarboxylate
IUPAC name
methyl 4-(benzyloxy)-2-(methylsulfanyl)quinoline-3-carboxylate
SMILES
COC(c(c(SC)nc1ccccc11)c1OCc1ccccc1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
339.41
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
4.793
Distribution Coefficient, logD
4.793
Water Solubility, LogSw
-5.20
Polar Surface Area
37.275
Acid Dissociation Constant (pKa)
27.24
Base Dissociation Constant (pKb)
-0.25
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
15.79
G198-0005 in Drug Discovery
Included in Screening Libraries
Antiparasite Library (23996 compounds)
Epigenetics Focused Set (26518 compounds)
Included in 1.7M Stock Database
- Infections
- Immune system
- animal
- Eye
- Agro
- GPCR
- Ion Channels
- Receptor's ligands
References: we are preparing a list of scientific research reports with G198-0005 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)