0449-0159 Screening compound: (14R)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.0~1,9~.0~2,7~.0~10,15~.0~12,17~]nonadeca-2(7),3,5-triene-14,18-diol
Chemical Structure Depiction of ChemDiv screening compound 0449-0159
(14R)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.0~1,9~.0~2,7~.0~10,15~.0~12,17~]nonadeca-2(7),3,5-triene-14,18-diol
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
0449-0159
Molecular Formula
C20H26N2O2 (C20 H26 N2 O2)
Compound Name
(14R)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.0~1,9~.0~2,7~.0~10,15~.0~12,17~]nonadeca-2(7),3,5-triene-14,18-diol
IUPAC name
(14R)-13-ethyl-8-methyl-815-diazahexacyclo[14.2.1.0^{19}.0^{27}.0^{1015}.0^{1217}]nonadeca-2(7)35-triene-1418-diol
SMILES
CCC(C(CC1N2C3CC45c(cccc6)c6N(C)C14)C3C5O)C2O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
326.44
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
1.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
1.621
Distribution Coefficient, logD
1.618
Water Solubility, LogSw
-2.59
Polar Surface Area
36.505
Acid Dissociation Constant (pKa)
16.50
Base Dissociation Constant (pKb)
5.12
Number of Chiral Centers
9.00
Percent sp3 carbon bonding
70.00
0449-0159 in Drug Discovery
Included in Screening Libraries
Anti-infective Library (19449 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Dark Chemical Matter Library (18430 compounds)
GPCR Targeted Library (31838 compounds)
Human Ion Channels Annotated Library (353 compounds)
Launched & Clinically Evaluated Drugs Library (185 compounds)
Protein Arginine Methyltransferases Library (27925 compounds)
Therapeutical Diversity Annotated Library (7563 compounds)
Akt-Targeted Library (14764 compounds)
Ion Channels Focused Library (26372 compounds)
Natural Compounds Library (353 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Infections
- Immune system
- animal
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Metabolic
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Skin
- Nervous system
- Cardiovascular
- Pool
- GPCR
- Others
- Kinases
- Ion Channels
- Receptor's ligands
- Epigenetic
- Agro
References: we are preparing a list of scientific research reports with 0449-0159 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)