E842-0153 Screening compound: 2-{2,4-dioxo-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3,4-tetrahydroquinazolin-1-yl}-N-(3-methoxyphenyl)acetamide
Chemical Structure Depiction of ChemDiv screening compound E842-0153
2-{2,4-dioxo-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3,4-tetrahydroquinazolin-1-yl}-N-(3-methoxyphenyl)acetamide
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
E842-0153
Molecular Formula
C26H21N5O5 (C26 H21 N5 O5)
Compound Name
2-{2,4-dioxo-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3,4-tetrahydroquinazolin-1-yl}-N-(3-methoxyphenyl)acetamide
IUPAC name
2-{24-dioxo-3-[(3-phenyl-124-oxadiazol-5-yl)methyl]-1234-tetrahydroquinazolin-1-yl}-N-(3-methoxyphenyl)acetamide
SMILES
COc1cccc(NC(CN(c(cccc2)c2C(N2Cc3nc(-c4ccccc4)no3)=O)C2=O)=O)c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
483.48
Hydrogen Bond Acceptors Count
10.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
10
Partition Coefficient, logP
4.002
Distribution Coefficient, logD
4.002
Water Solubility, LogSw
-4.33
Polar Surface Area
93.303
Acid Dissociation Constant (pKa)
11.87
Base Dissociation Constant (pKb)
0.78
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
11.50
E842-0153 in Drug Discovery
Included in Screening Libraries
Anticancer Library (62698 compounds)
Antiviral Annotated Library (21441 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Included in 1.7M Stock Database
- Cancer
References: we are preparing a list of scientific research reports with E842-0153 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)