C686-0711 Screening compound: ethyl ({2-[(3-fluorophenyl)carbamoyl]-1-benzofuran-3-yl}carbamoyl)formate
Chemical Structure Depiction of ChemDiv screening compound C686-0711
ethyl ({2-[(3-fluorophenyl)carbamoyl]-1-benzofuran-3-yl}carbamoyl)formate
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
C686-0711
Molecular Formula
C19H15FN2O5 (C19 H15 FN2 O5)
Compound Name
ethyl ({2-[(3-fluorophenyl)carbamoyl]-1-benzofuran-3-yl}carbamoyl)formate
IUPAC name
ethyl ({2-[(3-fluorophenyl)carbamoyl]-1-benzofuran-3-yl}carbamoyl)formate
SMILES
CCOC(C(Nc1c(C(Nc2cccc(F)c2)=O)oc2c1cccc2)=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
370.34
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
3.158
Distribution Coefficient, logD
2.175
Water Solubility, LogSw
-3.22
Polar Surface Area
74.576
Acid Dissociation Constant (pKa)
6.47
Base Dissociation Constant (pKb)
0.29
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
10.50
C686-0711 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Antiviral Library (67538 compounds)
Adenosine Receptors Targeted Library (19896 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
- Antiviral
- Infections
- Immune system
- Cancer
- Digestive system
- Respiratory tract
- Nervous system
- Eye
- Cardiovascular
- GPCR
- Receptor's ligands
References: we are preparing a list of scientific research reports with C686-0711 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)