3966-1296 Screening compound: [3-(2,2-DIMETHYLOXAN-4-YL)-3-PHENYLPROPYL](1-PHENYLETHYL)AMINE
Chemical Structure Depiction of ChemDiv screening compound 3966-1296
[3-(2,2-DIMETHYLOXAN-4-YL)-3-PHENYLPROPYL](1-PHENYLETHYL)AMINE
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
3966-1296
Molecular Formula
C24H33NO (C24 H33 NO)
Compound Name
[3-(2,2-DIMETHYLOXAN-4-YL)-3-PHENYLPROPYL](1-PHENYLETHYL)AMINE
IUPAC name
[3-(22-dimethyloxan-4-yl)-3-phenylpropyl](1-phenylethyl)amine
SMILES
CC(c1ccccc1)NCCC(C1CC(C)(C)OCC1)c1ccccc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
351.53
Hydrogen Bond Acceptors Count
2.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
2
Partition Coefficient, logP
5.374
Distribution Coefficient, logD
4.200
Water Solubility, LogSw
-5.49
Polar Surface Area
17.919
Acid Dissociation Constant (pKa)
23.79
Base Dissociation Constant (pKb)
8.54
Number of Chiral Centers
3.00
Percent sp3 carbon bonding
50.00
3966-1296 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Included in 1.7M Stock Database
- 3D
References: we are preparing a list of scientific research reports with 3966-1296 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)