C498-0574 Screening compound: N-{3-[benzyl(ethyl)amino]propyl}-5-methyl-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide
Chemical Structure Depiction of ChemDiv screening compound C498-0574
N-{3-[benzyl(ethyl)amino]propyl}-5-methyl-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide
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
C498-0574
Molecular Formula
C25H27N3O2S (C25 H27 N3 O2 S)
Compound Name
N-{3-[benzyl(ethyl)amino]propyl}-5-methyl-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide
IUPAC name
N-{3-[benzyl(ethyl)amino]propyl}-5-methyl-4-oxo-4H5H-thieno[32-c]quinoline-2-carboxamide
SMILES
CCN(CCCNC(c1cc(C(N(C)c2c-3cccc2)=O)c3s1)=O)Cc1ccccc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
433.57
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
3.727
Distribution Coefficient, logD
2.137
Water Solubility, LogSw
-3.87
Polar Surface Area
44.066
Acid Dissociation Constant (pKa)
14.63
Base Dissociation Constant (pKb)
8.98
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
28.00
C498-0574 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Anticancer Library (62698 compounds)
Antiviral Library (67538 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
- Cancer
- Antiviral
- Infections
- Immune system
References: we are preparing a list of scientific research reports with C498-0574 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)