8008-0004 Screening compound: 1-[3-(pyrrolidin-1-yl)prop-1-yn-1-yl]cyclohexan-1-ol
Chemical Structure Depiction of ChemDiv screening compound 8008-0004
1-[3-(pyrrolidin-1-yl)prop-1-yn-1-yl]cyclohexan-1-ol
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
8008-0004
Molecular Formula
C13H21NO (C13 H21 NO)
Compound Name
1-[3-(pyrrolidin-1-yl)prop-1-yn-1-yl]cyclohexan-1-ol
IUPAC name
1-[3-(pyrrolidin-1-yl)prop-1-yn-1-yl]cyclohexan-1-ol
SMILES
OC1(CCCCC1)C#CCN1CCCC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
207.32
Hydrogen Bond Acceptors Count
2.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
2
Partition Coefficient, logP
2.291
Distribution Coefficient, logD
1.821
Water Solubility, LogSw
-1.84
Polar Surface Area
20.080
Acid Dissociation Constant (pKa)
15.73
Base Dissociation Constant (pKb)
7.69
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
84.60
8008-0004 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
3D-Fragment Library (4274 compounds)
Antiparasite Library (23996 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Dark Chemical Matter Library (18430 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Covalent Inhibitors Library (7986 compounds)
?ysteine Targeted Covalent Library (39471 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
- 3D
- Fragments
- Pool
- Cyclic compounds
- 3D
- Fragments
- Infections
- Immune system
- animal
- Agro
References: we are preparing a list of scientific research reports with 8008-0004 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)