0052-0069 Screening compound: 2-[4-(decyloxy)phenyl]-2-oxoethyl 4-heptylbenzoate
Chemical Structure Depiction of ChemDiv screening compound 0052-0069
2-[4-(decyloxy)phenyl]-2-oxoethyl 4-heptylbenzoate
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
0052-0069
Molecular Formula
C32H46O4 (C32 H46 O4)
Compound Name
2-[4-(decyloxy)phenyl]-2-oxoethyl 4-heptylbenzoate
IUPAC name
2-[4-(decyloxy)phenyl]-2-oxoethyl 4-heptylbenzoate
SMILES
CCCCCCCCCCOc(cc1)ccc1C(COC(c1ccc(CCCCCCC)cc1)=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
494.71
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
21.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
11.256
Distribution Coefficient, logD
11.256
Water Solubility, LogSw
-5.84
Polar Surface Area
41.761
Acid Dissociation Constant (pKa)
22.85
Base Dissociation Constant (pKb)
0.00
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
56.30
0052-0069 in Drug Discovery
Included in Screening Libraries
Glucocorticoid receptors Library (4806 compounds)
Regenerative Medicine Focused Library (23016 compounds)
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)
Included in 1.7M Stock Database
- Cancer
- Nervous system
- Hemic and lymphatic
- Congenital
- Metabolic
- Endocrine
- Musculoskeletal
- Digestive system
- Hemic and lymphatic
- Cardiovascular
- Skin
- wounds
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- Nuclear receptors
- Phosphatases
- Receptor's ligands
References: we are preparing a list of scientific research reports with 0052-0069 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)