6228-1663 Screening compound: 5-[(4-tert-butylphenoxy)methyl]furan-2-carboxylic acid

6228-1663 Screening compound: 5-[(4-tert-butylphenoxy)methyl]furan-2-carboxylic acid
6228-1663 Screening compound: 5-[(4-tert-butylphenoxy)methyl]furan-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6228-1663
5-[(4-tert-butylphenoxy)methyl]furan-2-carboxylic 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

6228-1663

Molecular Formula

C16H18O4 (C16 H18 O4)

Compound Name

5-[(4-tert-butylphenoxy)methyl]furan-2-carboxylic acid

IUPAC name

5-[(4-tert-butylphenoxy)methyl]furan-2-carboxylic acid

SMILES

CC(C)(C)c(cc1)ccc1OCc1ccc(C(O)=O)o1

InChI

InChI=1S/C16H18O4/c1-16(2,3)11-4-6-12(7-5-11)19-10-13-8-9-14(20-13)15(17)18/h4-9H,10H2,1-3H3,(H,17,18)

InChI Key

IBCVBAKAPXHALY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02090869

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

274.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.058

Distribution Coefficient, logD

0.074

Water Solubility, LogSw

-4.02

Polar Surface Area

43.715

Acid Dissociation Constant (pKa)

3.42

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

6228-1663 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6228-1663 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6228-1663?
Check Price and Availability of 6228-1663, 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 6228-1663 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6228-1663
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6228-1663
  • 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 6228-1663 available by request