0099-0238 Screening compound: 2-[(1E,3E)-4-[4-(dimethylamino)phenyl]buta-1,3-dien-1-yl]-1-methylpyridin-1-ium
Chemical Structure Depiction of ChemDiv screening compound 0099-0238
2-[(1E,3E)-4-[4-(dimethylamino)phenyl]buta-1,3-dien-1-yl]-1-methylpyridin-1-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
0099-0238
Molecular Formula
C18H21N2 (C18 H21 N2)
Compound Name
2-[(1E,3E)-4-[4-(dimethylamino)phenyl]buta-1,3-dien-1-yl]-1-methylpyridin-1-ium
IUPAC name
2-[(1E3E)-4-[4-(dimethylamino)phenyl]buta-13-dien-1-yl]-1-methylpyridin-1-ium
SMILES
CN(C)c1ccc(/C=C/C=C/c2[n+](C)cccc2)cc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
ClO4-
Molecular Weight
265.38
Hydrogen Bond Acceptors Count
0.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
2
Partition Coefficient, logP
3.715
Distribution Coefficient, logD
3.715
Water Solubility, LogSw
-3.94
Polar Surface Area
4.651
Acid Dissociation Constant (pKa)
28.46
Base Dissociation Constant (pKb)
3.55
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
16.70
0099-0238 in Drug Discovery
Included in Screening Libraries
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
?ysteine Targeted Covalent Library (39471 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with 0099-0238 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)