0054-0112 Screening compound: 4-(nonyloxy)benzoic acid

0054-0112 Screening compound: 4-(nonyloxy)benzoic acid
0054-0112 Screening compound: 4-(nonyloxy)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0054-0112
4-(nonyloxy)benzoic acid

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

0054-0112

Molecular Formula

C16H24O3 (C16 H24 O3)

Compound Name

4-(nonyloxy)benzoic acid

IUPAC name

4-(nonyloxy)benzoic acid

SMILES

CCCCCCCCCOc(cc1)ccc1C(O)=O

InChI

InChI=1S/C16H24O3/c1-2-3-4-5-6-7-8-13-19-15-11-9-14(10-12-15)16(17)18/h9-12H,2-8,13H2,1H3,(H,17,18)

InChI Key

BOZLUAUKDKKZHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00043501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

264.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.004

Distribution Coefficient, logD

3.487

Water Solubility, LogSw

-5.26

Polar Surface Area

36.064

Acid Dissociation Constant (pKa)

4.88

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

0054-0112 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Glucocorticoid receptors Library (4806 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Cancer
  • Immune system
Targets:
  • Nuclear receptors
  • Nuclear receptors
  • Others
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0054-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0054-0112?
Check Price and Availability of 0054-0112, 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 0054-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0054-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0054-0112
  • 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 0054-0112 available by request