R035-0073 Screening compound: 4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol

R035-0073 Screening compound: 4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol
R035-0073 Screening compound: 4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound R035-0073
4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol

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

R035-0073

Molecular Formula

C17H20O2 (C17 H20 O2)

Compound Name

4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol

IUPAC name

4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol

SMILES

CC(C)(c(cc1)cc(C)c1O)c(cc1)cc(C)c1O

InChI

InChI=1S/C17H20O2/c1-11-9-13(5-7-15(11)18)17(3,4)14-6-8-16(19)12(2)10-14/h5-10,18-19H,1-4H3

InChI Key

YMTYZTXUZLQUSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00002232

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

256.34

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.000

Distribution Coefficient, logD

4.000

Water Solubility, LogSw

-3.76

Polar Surface Area

33.063

Acid Dissociation Constant (pKa)

10.61

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

R035-0073 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Carbonic Anhydrase II Library (4939 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with R035-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R035-0073?
Check Price and Availability of R035-0073, 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 R035-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R035-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R035-0073
  • 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 R035-0073 available by request