0053-0027 Screening compound: 2-[4-(hexyloxy)phenyl]-2-oxoethyl 4-(hexyloxy)benzoate

0053-0027 Screening compound: 2-[4-(hexyloxy)phenyl]-2-oxoethyl 4-(hexyloxy)benzoate
0053-0027 Screening compound: 2-[4-(hexyloxy)phenyl]-2-oxoethyl 4-(hexyloxy)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0053-0027
2-[4-(hexyloxy)phenyl]-2-oxoethyl 4-(hexyloxy)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

0053-0027

Molecular Formula

C27H36O5 (C27 H36 O5)

Compound Name

2-[4-(hexyloxy)phenyl]-2-oxoethyl 4-(hexyloxy)benzoate

IUPAC name

2-[4-(hexyloxy)phenyl]-2-oxoethyl 4-(hexyloxy)benzoate

SMILES

CCCCCCOc(cc1)ccc1C(COC(c(cc1)ccc1OCCCCCC)=O)=O

InChI

InChI=1S/C27H36O5/c1-3-5-7-9-19-30-24-15-11-22(12-16-24)26(28)21-32-27(29)23-13-17-25(18-14-23)31-20-10-8-6-4-2/h11-18H,3-10,19-21H2,1-2H3

InChI Key

OQOLDDWOYDWCCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00688923

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

17.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

8.235

Distribution Coefficient, logD

8.235

Water Solubility, LogSw

-5.92

Polar Surface Area

49.178

Acid Dissociation Constant (pKa)

22.85

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.10

0053-0027 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 0053-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0053-0027?
Check Price and Availability of 0053-0027, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0053-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0053-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0053-0027
  • 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 0053-0027 available by request