C509-0780 Screening compound: N-butyl-2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-ethylacetamide
Chemical Structure Depiction of ChemDiv screening compound C509-0780
N-butyl-2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-ethylacetamide
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
C509-0780
Molecular Formula
C21H27ClN2OS (C21 H27 ClN2 OS)
Compound Name
N-butyl-2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-ethylacetamide
IUPAC name
n/a
SMILES
CCCCN(CC)C(CSc1c(cc(cc2)Cl)c2nc2c1CCCC2)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
390.98
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
5.780
Distribution Coefficient, logD
5.329
Water Solubility, LogSw
-5.83
Polar Surface Area
25.649
Acid Dissociation Constant (pKa)
21.34
Base Dissociation Constant (pKb)
7.66
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
52.40
C509-0780 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
CNS targets activity set (6557 compounds)
Selective Target Activity Profiling Library (14702 compounds)
Therapeutical Diversity Annotated Library (7563 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
References: we are preparing a list of scientific research reports with C509-0780 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)