0074-0001 Screening compound: 4-(octyloxy)phenyl 4-nonylbenzoate

0074-0001 Screening compound: 4-(octyloxy)phenyl 4-nonylbenzoate
0074-0001 Screening compound: 4-(octyloxy)phenyl 4-nonylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0074-0001
4-(octyloxy)phenyl 4-nonylbenzoate

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

0074-0001

Molecular Formula

C30H44O3 (C30 H44 O3)

Compound Name

4-(octyloxy)phenyl 4-nonylbenzoate

IUPAC name

4-(octyloxy)phenyl 4-nonylbenzoate

SMILES

CCCCCCCCCc(cc1)ccc1C(Oc(cc1)ccc1OCCCCCCCC)=O

InChI

InChI=1S/C30H44O3/c1-3-5-7-9-11-12-14-16-26-17-19-27(20-18-26)30(31)33-29-23-21-28(22-24-29)32-25-15-13-10-8-6-4-2/h17-24H,3-16,25H2,1-2H3

InChI Key

LIFGFXHSHJHSJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00804642

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.68

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

19.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

11.267

Distribution Coefficient, logD

11.267

Water Solubility, LogSw

-5.85

Polar Surface Area

28.034

Acid Dissociation Constant (pKa)

26.71

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.70

0074-0001 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0074-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0074-0001?
Check Price and Availability of 0074-0001, 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 0074-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0074-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0074-0001
  • 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 0074-0001 available by request