S564-0583 Screening compound: 2-cyclopentyl-1-{4-[(5-cyclopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}ethan-1-one
Chemical Structure Depiction of ChemDiv screening compound S564-0583
2-cyclopentyl-1-{4-[(5-cyclopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}ethan-1-one
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
S564-0583
Molecular Formula
C18H28N4O (C18 H28 N4 O)
Compound Name
2-cyclopentyl-1-{4-[(5-cyclopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}ethan-1-one
IUPAC name
2-cyclopentyl-1-{4-[(5-cyclopropyl-4H-124-triazol-3-yl)methyl]piperidin-1-yl}ethan-1-one
SMILES
O=C(CC1CCCC1)N1CCC(Cc2nnc(C3CC3)[nH]2)CC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
316.45
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
2.718
Distribution Coefficient, logD
2.715
Water Solubility, LogSw
-2.88
Polar Surface Area
51.944
Acid Dissociation Constant (pKa)
8.18
Base Dissociation Constant (pKb)
7.07
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
83.33
S564-0583 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Anti-HIV1 Library (19540 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- 3D
- Mimetics
- Cyclic compounds
- PPI modulators
- PPI modulators
- Antiviral
- Infections
- Immune system
References: we are preparing a list of scientific research reports with S564-0583 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)