2548-0800 Screening compound: N-[(1E)-2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene]-2,4-dinitrobenzamide
Chemical Structure Depiction of ChemDiv screening compound 2548-0800
N-[(1E)-2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene]-2,4-dinitrobenzamide
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
2548-0800
Molecular Formula
C15H11N3O6 (C15 H11 N3 O6)
Compound Name
N-[(1E)-2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene]-2,4-dinitrobenzamide
IUPAC name
N-[(1E)-25-dimethyl-4-oxocyclohexa-25-dien-1-ylidene]-24-dinitrobenzamide
SMILES
CC(/C(/C=C1C)=N/C(c(ccc([N+]([O-])=O)c2)c2[N+]([O-])=O)=O)=CC1=O
InChI
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
329.27
Hydrogen Bond Acceptors Count
13.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
2.417
Distribution Coefficient, logD
2.157
Water Solubility, LogSw
-2.84
Polar Surface Area
101.790
Acid Dissociation Constant (pKa)
32.80
Base Dissociation Constant (pKb)
7.31
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
13.30
References: we are preparing a list of scientific research reports with 2548-0800 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)