Z601-5054 Screening compound: 1-{2-[(2-methylpiperidino)carbonyl]-1-pyrrolidinyl}-1-butanone
Chemical Structure Depiction of ChemDiv screening compound Z601-5054
1-{2-[(2-methylpiperidino)carbonyl]-1-pyrrolidinyl}-1-butanone
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
Z601-5054
Molecular Formula
C15H26N2O2 (C15 H26 N2 O2)
Compound Name
1-{2-[(2-methylpiperidino)carbonyl]-1-pyrrolidinyl}-1-butanone
IUPAC name
1-[2-(2-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]butan-1-one
SMILES
CCCC(N(CCC1)C1C(N1C(C)CCCC1)=O)=O
InChI
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
266.38
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
1.799
Distribution Coefficient, logD
1.799
Water Solubility, LogSw
-1.56
Polar Surface Area
32.624
Acid Dissociation Constant (pKa)
21.76
Base Dissociation Constant (pKb)
4.00
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
86.67
Z601-5054 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Serine Proteases Inhibitors Library (32732 compounds)
Targeted Diversity Library (40567 compounds)
Anti-HIV1 Library (19540 compounds)
Included in 1.7M Stock Database
- Infections
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Cardiovascular
- Skin
- Metabolic
- Immune system
- Antiviral
- Infections
- Immune system
- Proteases
References: we are preparing a list of scientific research reports with Z601-5054 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)