0228-0108 Screening compound: (2E)-3-(4-heptylphenyl)prop-2-enenitrile
Chemical Structure Depiction of ChemDiv screening compound 0228-0108
(2E)-3-(4-heptylphenyl)prop-2-enenitrile
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
0228-0108
Molecular Formula
C16H21N (C16 H21 N)
Compound Name
(2E)-3-(4-heptylphenyl)prop-2-enenitrile
IUPAC name
(2E)-3-(4-heptylphenyl)prop-2-enenitrile
SMILES
CCCCCCCc1ccc(/C=C/C#N)cc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
227.35
Hydrogen Bond Acceptors Count
1.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
1
Partition Coefficient, logP
5.589
Distribution Coefficient, logD
5.589
Water Solubility, LogSw
-5.54
Polar Surface Area
17.730
Acid Dissociation Constant (pKa)
26.71
Base Dissociation Constant (pKb)
-6.41
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
43.80
References: we are preparing a list of scientific research reports with 0228-0108 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)