3771-4657 Screening compound: 5-[(2-ethoxyphenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of ChemDiv screening compound 3771-4657
5-[(2-ethoxyphenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
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
3771-4657
Molecular Formula
C15H16N2O4 (C15 H16 N2 O4)
Compound Name
5-[(2-ethoxyphenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
IUPAC name
5-[(2-ethoxyphenyl)methylidene]-13-dimethyl-13-diazinane-246-trione
SMILES
CCOc1c(C=C(C(N(C)C(N2C)=O)=O)C2=O)cccc1
InChI
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
288.3
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
2.206
Distribution Coefficient, logD
2.206
Water Solubility, LogSw
-2.47
Polar Surface Area
52.336
Acid Dissociation Constant (pKa)
29.85
Base Dissociation Constant (pKb)
-7.50
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
26.70
References: we are preparing a list of scientific research reports with 3771-4657 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)