0831-0958 Screening compound: methyl 2-[2-hexyl-5-(2-methoxy-2-oxoethoxy)phenoxy]acetate
Chemical Structure Depiction of ChemDiv screening compound 0831-0958
methyl 2-[2-hexyl-5-(2-methoxy-2-oxoethoxy)phenoxy]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
0831-0958
Molecular Formula
C18H26O6 (C18 H26 O6)
Compound Name
methyl 2-[2-hexyl-5-(2-methoxy-2-oxoethoxy)phenoxy]acetate
IUPAC name
methyl 2-[2-hexyl-5-(2-methoxy-2-oxoethoxy)phenoxy]acetate
SMILES
CCCCCCc(ccc(OCC(OC)=O)c1)c1OCC(OC)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
338.4
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
13.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
3.470
Distribution Coefficient, logD
3.470
Water Solubility, LogSw
-3.37
Polar Surface Area
56.481
Acid Dissociation Constant (pKa)
24.27
Base Dissociation Constant (pKb)
0.00
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
55.60
0831-0958 in Drug Discovery
Included in Screening Libraries
Frequent Hitters Library (7624 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Included in 1.7M Stock Database
- Pool
References: we are preparing a list of scientific research reports with 0831-0958 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)