0133-0066 Screening compound: 2-(3,3-dimethyl-3H-indol-2-yl)-4-methylphenol

0133-0066 Screening compound: 2-(3,3-dimethyl-3H-indol-2-yl)-4-methylphenol
0133-0066 Screening compound: 2-(3,3-dimethyl-3H-indol-2-yl)-4-methylphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0133-0066
2-(3,3-dimethyl-3H-indol-2-yl)-4-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

0133-0066

Molecular Formula

C17H17NO (C17 H17 NO)

Compound Name

2-(3,3-dimethyl-3H-indol-2-yl)-4-methylphenol

IUPAC name

2-(33-dimethyl-3H-indol-2-yl)-4-methylphenol

SMILES

CC1(C)C(c(cc(C)cc2)c2O)=Nc2c1cccc2

InChI

InChI=1S/C17H17NO/c1-11-8-9-15(19)12(10-11)16-17(2,3)13-6-4-5-7-14(13)18-16/h4-10,19H,1-3H3

InChI Key

CIHJCGSRUKDBSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00156576

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

251.33

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.554

Distribution Coefficient, logD

4.549

Water Solubility, LogSw

-4.00

Polar Surface Area

24.910

Acid Dissociation Constant (pKa)

9.31

Base Dissociation Constant (pKb)

3.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

0133-0066 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cardiovascular Library (22201 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0133-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0133-0066?
Check Price and Availability of 0133-0066, 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 0133-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0133-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0133-0066
  • 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 0133-0066 available by request