3886-1240 Screening compound: 1-(hydroxymethyl)-5-methyl-decahydroquinolizin-5-ium
Chemical Structure Depiction of ChemDiv screening compound 3886-1240
1-(hydroxymethyl)-5-methyl-decahydroquinolizin-5-ium
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
3886-1240
Molecular Formula
C11H22NO (C11 H22 NO)
Compound Name
1-(hydroxymethyl)-5-methyl-decahydroquinolizin-5-ium
IUPAC name
(1S)-1-(hydroxymethyl)-5-methyl-decahydroquinolizin-5-ium
SMILES
C[N+]1(CCCC2)C2C(CO)CCC1
InChI
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
Br-
Molecular Weight
184.3
Hydrogen Bond Acceptors Count
1.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
1.00
Number of Nitrogen and Oxygen Atoms
2
Partition Coefficient, logP
0.728
Distribution Coefficient, logD
0.728
Water Solubility, LogSw
-0.11
Polar Surface Area
17.224
Acid Dissociation Constant (pKa)
15.98
Base Dissociation Constant (pKb)
0.00
Number of Chiral Centers
3.00
Percent sp3 carbon bonding
100.00
3886-1240 in Drug Discovery
Included in Screening Libraries
Antiviral Annotated Library (21441 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with 3886-1240 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)