S018-0455 Screening compound: N-[2-(piperidin-1-yl)ethyl]-2-(pyridine-3-sulfonyl)-2-azaspiro[4.5]decane-4-carboxamide
Chemical Structure Depiction of ChemDiv screening compound S018-0455
N-[2-(piperidin-1-yl)ethyl]-2-(pyridine-3-sulfonyl)-2-azaspiro[4.5]decane-4-carboxamide
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
S018-0455
Molecular Formula
C22H34N4O3S (C22 H34 N4 O3 S)
Compound Name
N-[2-(piperidin-1-yl)ethyl]-2-(pyridine-3-sulfonyl)-2-azaspiro[4.5]decane-4-carboxamide
IUPAC name
N-[2-(piperidin-1-yl)ethyl]-2-(pyridine-3-sulfonyl)-2-azaspiro[4.5]decane-4-carboxamide
SMILES
O=C(C(CN(C1)S(c2cnccc2)(=O)=O)C11CCCCC1)NCCN1CCCCC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
434.6
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
1.682
Distribution Coefficient, logD
-0.126
Water Solubility, LogSw
-2.10
Polar Surface Area
69.858
Acid Dissociation Constant (pKa)
12.34
Base Dissociation Constant (pKb)
9.20
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
72.70
S018-0455 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Antiviral Library (67538 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
KRAS-Targeted Library (16000 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
SmartTM Library (51161 compounds)
Spiro Library (21655 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Nervous system
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Kinases
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- Mimetics
- Cyclic compounds
- Cyclic compounds
- Mimetics
References: we are preparing a list of scientific research reports with S018-0455 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)