0199-0048 Screening compound: 4-(dodecyloxy)benzonitrile
Chemical Structure Depiction of ChemDiv screening compound 0199-0048
4-(dodecyloxy)benzonitrile
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
0199-0048
Molecular Formula
C19H29NO (C19 H29 NO)
Compound Name
4-(dodecyloxy)benzonitrile
IUPAC name
4-(dodecyloxy)benzonitrile
SMILES
CCCCCCCCCCCCOc(cc1)ccc1C#N
InChI
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
287.45
Hydrogen Bond Acceptors Count
2.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
13.00
Number of Nitrogen and Oxygen Atoms
2
Partition Coefficient, logP
7.298
Distribution Coefficient, logD
7.298
Water Solubility, LogSw
-5.91
Polar Surface Area
24.712
Acid Dissociation Constant (pKa)
27.86
Base Dissociation Constant (pKb)
-10.07
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
63.20
0199-0048 in Drug Discovery
Included in Screening Libraries
STING Agonist Library (5895 compounds)
Included in 1.7M Stock Database
- Cancer
- Immune system
- Others
References: we are preparing a list of scientific research reports with 0199-0048 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)