4900-0066 Screening compound: (5E)-5-[(dimethylcarbamoyl)imino]-3-(1-phenylpropan-2-yl)-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide
Chemical Structure Depiction of ChemDiv screening compound 4900-0066
(5E)-5-[(dimethylcarbamoyl)imino]-3-(1-phenylpropan-2-yl)-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide
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
4900-0066
Molecular Formula
C14H18N4O2 (C14 H18 N4 O2)
Compound Name
(5E)-5-[(dimethylcarbamoyl)imino]-3-(1-phenylpropan-2-yl)-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide
IUPAC name
(5E)-5-[(dimethylcarbamoyl)imino]-3-(1-phenylpropan-2-yl)-45-dihydro-123-oxadiazol-3-ium-4-ide
SMILES
CC(Cc1ccccc1)[N+]([CH-]1)=NO/C1=N/C(N(C)C)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
HCl
Molecular Weight
274.32
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
1.753
Distribution Coefficient, logD
1.743
Water Solubility, LogSw
-1.84
Polar Surface Area
53.278
Acid Dissociation Constant (pKa)
25.24
Base Dissociation Constant (pKb)
5.77
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
42.90
4900-0066 in Drug Discovery
Included in Screening Libraries
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with 4900-0066 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)