0831-0958 Screening compound: methyl 2-[2-hexyl-5-(2-methoxy-2-oxoethoxy)phenoxy]acetate

0831-0958 Screening compound: methyl 2-[2-hexyl-5-(2-methoxy-2-oxoethoxy)phenoxy]acetate
0831-0958 Screening compound: methyl 2-[2-hexyl-5-(2-methoxy-2-oxoethoxy)phenoxy]acetate alternative view

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

InChI=1S/C18H26O6/c1-4-5-6-7-8-14-9-10-15(23-12-17(19)21-2)11-16(14)24-13-18(20)22-3/h9-11H,4-8,12-13H2,1-3H3

InChI Key

IUFKEOHASUWSDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00499111

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

Structure:
  • 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

How to purchase chemical compound 0831-0958?
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What is the minimum amount of 0831-0958 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0831-0958
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0831-0958
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 0831-0958 available by request