C204-0289 Screening compound: N-{2-[butyl(ethyl)amino]ethyl}-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide
Chemical Structure Depiction of ChemDiv screening compound C204-0289
N-{2-[butyl(ethyl)amino]ethyl}-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide
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
C204-0289
Molecular Formula
C27H42N6O2 (C27 H42 N6 O2)
Compound Name
N-{2-[butyl(ethyl)amino]ethyl}-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide
IUPAC name
N-{2-[butyl(ethyl)amino]ethyl}-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide
SMILES
CCCCN(CC)CCNC(CCC(Nc1cc2c(C)cc(N3CCN(C)CC3)nc2cc1)=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
482.67
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
14.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
3.183
Distribution Coefficient, logD
1.364
Water Solubility, LogSw
-3.15
Polar Surface Area
66.089
Acid Dissociation Constant (pKa)
11.10
Base Dissociation Constant (pKb)
9.21
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
59.30
C204-0289 in Drug Discovery
Included in Screening Libraries
CNS targets activity set (6557 compounds)
Immunological Library (6760 compounds)
Lipid Metabolism Library (9174 compounds)
Regenerative Medicine Focused Library (23016 compounds)
Selective Target Activity Profiling Library (14702 compounds)
SmartTM Library (51161 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Epigenetics Focused Set (26518 compounds)
Included in 1.7M Stock Database
- Immune system
- Cardiovascular
- Metabolic
- Musculoskeletal
- Digestive system
- Hemic and lymphatic
- Cardiovascular
- Skin
- wounds
References: we are preparing a list of scientific research reports with C204-0289 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)