R052-0157 Screening compound: 2-(3,5-di-tert-butyl-4-hydroxyphenyl)acetic acid

R052-0157 Screening compound: 2-(3,5-di-tert-butyl-4-hydroxyphenyl)acetic acid
R052-0157 Screening compound: 2-(3,5-di-tert-butyl-4-hydroxyphenyl)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound R052-0157
2-(3,5-di-tert-butyl-4-hydroxyphenyl)acetic 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

R052-0157

Molecular Formula

C16H24O3 (C16 H24 O3)

Compound Name

2-(3,5-di-tert-butyl-4-hydroxyphenyl)acetic acid

IUPAC name

2-(35-di-tert-butyl-4-hydroxyphenyl)acetic acid

SMILES

CC(C)(C)c1cc(CC(O)=O)cc(C(C)(C)C)c1O

InChI

InChI=1S/C16H24O3/c1-15(2,3)11-7-10(9-13(17)18)8-12(14(11)19)16(4,5)6/h7-8,19H,9H2,1-6H3,(H,17,18)

InChI Key

QLMGIWHWWWXXME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00156138

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

264.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.727

Distribution Coefficient, logD

0.642

Water Solubility, LogSw

-3.81

Polar Surface Area

44.101

Acid Dissociation Constant (pKa)

4.32

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

R052-0157 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with R052-0157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R052-0157?
Check Price and Availability of R052-0157, 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 R052-0157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R052-0157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R052-0157
  • 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 R052-0157 available by request