C237-0197 Screening compound: N'-(5-chloro-2-methoxyphenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]butanediamide
Chemical Structure Depiction of ChemDiv screening compound C237-0197
N'-(5-chloro-2-methoxyphenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-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
C237-0197
Molecular Formula
C28H33ClN4O3 (C28 H33 ClN4 O3)
Compound Name
N'-(5-chloro-2-methoxyphenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]butanediamide
IUPAC name
N'-(5-chloro-2-methoxyphenyl)-N-[2-(35-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]butanediamide
SMILES
CC(CC(C)C1)CN1c1cc(C)c(cc(cc2)NC(CCC(Nc(cc(cc3)Cl)c3OC)=O)=O)c2n1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
509.05
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
5.740
Distribution Coefficient, logD
5.732
Water Solubility, LogSw
-5.90
Polar Surface Area
64.312
Acid Dissociation Constant (pKa)
9.13
Base Dissociation Constant (pKb)
9.48
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
39.30
C237-0197 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Anti-HIV1 Library (19540 compounds)
Histone Deacetylases (HDAC) Targeted Library (9760 compounds)
MCE-18 Trends in Medicinal Chemistry (51288 compounds)
Included in 1.7M Stock Database
- Nervous system
- Antiviral
- Infections
- Immune system
- Cancer
- Nervous system
- Hemic and lymphatic
- Endocrine
- Immune system
- Epigenetic
References: we are preparing a list of scientific research reports with C237-0197 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of C237-0197, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
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)