0350-0083 Screening compound: 4-[(1E)-3-oxobut-1-en-1-yl]pyridin-1-ium
Chemical Structure Depiction of ChemDiv screening compound 0350-0083
4-[(1E)-3-oxobut-1-en-1-yl]pyridin-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
0350-0083
Molecular Formula
C9H10NO (C9 H10 NO)
Compound Name
4-[(1E)-3-oxobut-1-en-1-yl]pyridin-1-ium
IUPAC name
4-[(1E)-3-oxobut-1-en-1-yl]pyridin-1-ium
SMILES
CC(/C=C/c1cc[nH+]cc1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
Cl-
Molecular Weight
148.18
Hydrogen Bond Acceptors Count
2.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
2
Partition Coefficient, logP
1.073
Distribution Coefficient, logD
1.073
Water Solubility, LogSw
-1.13
Polar Surface Area
23.002
Acid Dissociation Constant (pKa)
24.32
Base Dissociation Constant (pKb)
0.00
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
11.10
0350-0083 in Drug Discovery
Included in Screening Libraries
?ysteine Targeted Covalent Library (39471 compounds)
Epitranscriptome Focused Small Molecule Library (20952 compounds)
Included in 1.7M Stock Database
- Nervous system
- Hemic and lymphatic
- Congenital
- Metabolic
- Epigenetic
References: we are preparing a list of scientific research reports with 0350-0083 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)