5504-0074 Screening compound: [(2E)-3-chlorobut-2-en-1-yl][2-(4-chlorophenyl)-2-oxoethyl]dimethylazanium
Chemical Structure Depiction of ChemDiv screening compound 5504-0074
[(2E)-3-chlorobut-2-en-1-yl][2-(4-chlorophenyl)-2-oxoethyl]dimethylazanium
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
5504-0074
Molecular Formula
C14H18Cl2NO (C14 H18 Cl2 NO)
Compound Name
[(2E)-3-chlorobut-2-en-1-yl][2-(4-chlorophenyl)-2-oxoethyl]dimethylazanium
IUPAC name
[(2E)-3-chlorobut-2-en-1-yl][2-(4-chlorophenyl)-2-oxoethyl]dimethylazanium
SMILES
C/C(/Cl)=C\C[N+](C)(C)CC(c(cc1)ccc1Cl)=O
InChI Key
Chemical and Physical Properties
Saltdata
Br-
Molecular Weight
287.21
Hydrogen Bond Acceptors Count
2.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
2
Partition Coefficient, logP
3.409
Distribution Coefficient, logD
3.409
Water Solubility, LogSw
-3.88
Polar Surface Area
13.820
Acid Dissociation Constant (pKa)
21.97
Base Dissociation Constant (pKb)
0.00
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
35.70
References: we are preparing a list of scientific research reports with 5504-0074 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)