4161-2597 Screening compound: 4-[(2-methoxy-4-propylphenoxy)methyl]benzoic acid

4161-2597 Screening compound: 4-[(2-methoxy-4-propylphenoxy)methyl]benzoic acid
4161-2597 Screening compound: 4-[(2-methoxy-4-propylphenoxy)methyl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4161-2597
4-[(2-methoxy-4-propylphenoxy)methyl]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

4161-2597

Molecular Formula

C18H20O4 (C18 H20 O4)

Compound Name

4-[(2-methoxy-4-propylphenoxy)methyl]benzoic acid

IUPAC name

4-[(2-methoxy-4-propylphenoxy)methyl]benzoic acid

SMILES

CCCc(cc1)cc(OC)c1OCc(cc1)ccc1C(O)=O

InChI

InChI=1S/C18H20O4/c1-3-4-13-7-10-16(17(11-13)21-2)22-12-14-5-8-15(9-6-14)18(19)20/h5-11H,3-4,12H2,1-2H3,(H,19,20)

InChI Key

XGTXCAPDJPVYQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02766483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.501

Distribution Coefficient, logD

1.530

Water Solubility, LogSw

-4.54

Polar Surface Area

43.591

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

4161-2597 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Lipid Metabolism Library (9174 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4161-2597 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4161-2597?
Check Price and Availability of 4161-2597, 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 4161-2597 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4161-2597
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4161-2597
  • 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 4161-2597 available by request