0777-4284 Screening compound: 4-(methoxycarbonyl)phenyl 4-(5-pentylpyridin-2-yl)benzoate
Chemical Structure Depiction of ChemDiv screening compound 0777-4284
4-(methoxycarbonyl)phenyl 4-(5-pentylpyridin-2-yl)benzoate
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
0777-4284
Molecular Formula
C25H25NO4 (C25 H25 NO4)
Compound Name
4-(methoxycarbonyl)phenyl 4-(5-pentylpyridin-2-yl)benzoate
IUPAC name
4-(methoxycarbonyl)phenyl 4-(5-pentylpyridin-2-yl)benzoate
SMILES
CCCCCc(cc1)cnc1-c(cc1)ccc1C(Oc(cc1)ccc1C(OC)=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
403.48
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
10.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
6.622
Distribution Coefficient, logD
6.620
Water Solubility, LogSw
-5.57
Polar Surface Area
50.656
Acid Dissociation Constant (pKa)
23.95
Base Dissociation Constant (pKb)
5.17
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
24.00
0777-4284 in Drug Discovery
Included in Screening Libraries
Antiviral Annotated Library (21441 compounds)
Lipid Metabolism Library (9174 compounds)
Selective Target Activity Profiling Library (14702 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Included in 1.7M Stock Database
- Cardiovascular
- Metabolic
References: we are preparing a list of scientific research reports with 0777-4284 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)