R091-0017 Screening compound: 3,5-di-tert-butylphenol

R091-0017 Screening compound: 3,5-di-tert-butylphenol
R091-0017 Screening compound: 3,5-di-tert-butylphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound R091-0017
3,5-di-tert-butylphenol

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

R091-0017

Molecular Formula

C14H22O (C14 H22 O)

Compound Name

3,5-di-tert-butylphenol

IUPAC name

35-di-tert-butylphenol

SMILES

CC(C)(C)c1cc(O)cc(C(C)(C)C)c1

InChI

InChI=1S/C14H22O/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10/h7-9,15H,1-6H3

InChI Key

ZDWSNKPLZUXBPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00008829

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

206.33

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

5.308

Distribution Coefficient, logD

5.308

Water Solubility, LogSw

-5.37

Polar Surface Area

17.855

Acid Dissociation Constant (pKa)

11.85

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

R091-0017 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with R091-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R091-0017?
Check Price and Availability of R091-0017, 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 R091-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R091-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R091-0017
  • 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 R091-0017 available by request