E243-0103 Screening compound: methyl 2-[4-oxo[1]benzofuro[3,2-d]pyrimidin-3(4H)-yl]acetate
Chemical Structure Depiction of ChemDiv screening compound E243-0103
methyl 2-[4-oxo[1]benzofuro[3,2-d]pyrimidin-3(4H)-yl]acetate
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
E243-0103
Molecular Formula
C13H10N2O4 (C13 H10 N2 O4)
Compound Name
methyl 2-[4-oxo[1]benzofuro[3,2-d]pyrimidin-3(4H)-yl]acetate
IUPAC name
methyl 2-{6-oxo-8-oxa-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-5-yl}acetate
SMILES
COC(CN(C=Nc1c2oc3c1cccc3)C2=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
258.23
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
1.338
Distribution Coefficient, logD
1.338
Water Solubility, LogSw
-2.02
Polar Surface Area
53.085
Acid Dissociation Constant (pKa)
26.60
Base Dissociation Constant (pKb)
-1.14
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
15.40
E243-0103 in Drug Discovery
Included in Screening Libraries
Cardiovascular Library (22201 compounds)
Fragments Library (11262 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Epitranscriptome Focused Small Molecule Library (20952 compounds)
Included in 1.7M Stock Database
- Cardiovascular
- Nervous system
- Hemic and lymphatic
- Congenital
- Metabolic
- Fragments
- Epigenetic
References: we are preparing a list of scientific research reports with E243-0103 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)