R092-0048 Screening compound: 3,5-di-tert-butyl-4-hydroxybenzoic acid

R092-0048 Screening compound: 3,5-di-tert-butyl-4-hydroxybenzoic acid
R092-0048 Screening compound: 3,5-di-tert-butyl-4-hydroxybenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound R092-0048
3,5-di-tert-butyl-4-hydroxybenzoic 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

R092-0048

Molecular Formula

C15H22O3 (C15 H22 O3)

Compound Name

3,5-di-tert-butyl-4-hydroxybenzoic acid

IUPAC name

35-di-tert-butyl-4-hydroxybenzoic acid

SMILES

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

InChI

InChI=1S/C15H22O3/c1-14(2,3)10-7-9(13(17)18)8-11(12(10)16)15(4,5)6/h7-8,16H,1-6H3,(H,17,18)

InChI Key

YEXOWHQZWLCHHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00008827

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

250.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.373

Distribution Coefficient, logD

2.830

Water Solubility, LogSw

-4.15

Polar Surface Area

44.126

Acid Dissociation Constant (pKa)

5.87

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.30

R092-0048 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • Phosphatases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with R092-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R092-0048?
Check Price and Availability of R092-0048, 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 R092-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R092-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R092-0048
  • 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 R092-0048 available by request