E243-0082 Screening compound: 3-(4-fluorobenzyl)[1]benzofuro[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of ChemDiv screening compound E243-0082
3-(4-fluorobenzyl)[1]benzofuro[3,2-d]pyrimidin-4(3H)-one
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
E243-0082
Molecular Formula
C17H11FN2O2 (C17 H11 FN2 O2)
Compound Name
3-(4-fluorobenzyl)[1]benzofuro[3,2-d]pyrimidin-4(3H)-one
IUPAC name
5-[(4-fluorophenyl)methyl]-8-oxa-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-6-one
SMILES
O=C1N(Cc(cc2)ccc2F)C=Nc2c1oc1c2cccc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
294.29
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
3.099
Distribution Coefficient, logD
3.099
Water Solubility, LogSw
-3.09
Polar Surface Area
32.234
Acid Dissociation Constant (pKa)
31.64
Base Dissociation Constant (pKb)
-0.96
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
5.90
E243-0082 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Dark Chemical Matter Library (18430 compounds)
Fragments Library (11262 compounds)
Human Receptors Annotated Library (5376 compounds)
Targeted Diversity Library (40567 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
- Pool
- Fragments
References: we are preparing a list of scientific research reports with E243-0082 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)