5594-0673 Screening compound: (2E)-1-(2,2,4,6-tetramethyl-1,2-dihydroquinolin-1-yl)but-2-en-1-one
Chemical Structure Depiction of ChemDiv screening compound 5594-0673
(2E)-1-(2,2,4,6-tetramethyl-1,2-dihydroquinolin-1-yl)but-2-en-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
5594-0673
Molecular Formula
C17H21NO (C17 H21 NO)
Compound Name
(2E)-1-(2,2,4,6-tetramethyl-1,2-dihydroquinolin-1-yl)but-2-en-1-one
IUPAC name
(2E)-1-(2246-tetramethyl-12-dihydroquinolin-1-yl)but-2-en-1-one
SMILES
CC1(C)N(C(/C=C/C)=O)c(ccc(C)c2)c2C(C)=C1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
255.36
Hydrogen Bond Acceptors Count
2.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
2
Partition Coefficient, logP
4.265
Distribution Coefficient, logD
4.265
Water Solubility, LogSw
-4.38
Polar Surface Area
14.068
Acid Dissociation Constant (pKa)
28.80
Base Dissociation Constant (pKb)
2.38
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
35.30
5594-0673 in Drug Discovery
Included in Screening Libraries
Antiviral Annotated Library (21441 compounds)
Selective Target Activity Profiling Library (14702 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
?ysteine Targeted Covalent Library (39471 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with 5594-0673 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)