1174-0085 Screening compound: 2,6-dimethylphenyl 2-phenylacetate

1174-0085 Screening compound: 2,6-dimethylphenyl 2-phenylacetate
1174-0085 Screening compound: 2,6-dimethylphenyl 2-phenylacetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1174-0085
2,6-dimethylphenyl 2-phenylacetate

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

1174-0085

Molecular Formula

C16H16O2 (C16 H16 O2)

Compound Name

2,6-dimethylphenyl 2-phenylacetate

IUPAC name

26-dimethylphenyl 2-phenylacetate

SMILES

Cc1cccc(C)c1OC(Cc1ccccc1)=O

InChI

InChI=1S/C16H16O2/c1-12-7-6-8-13(2)16(12)18-15(17)11-14-9-4-3-5-10-14/h3-10H,11H2,1-2H3

InChI Key

DDIPWIMNBAKQMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01536579

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

240.3

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.189

Distribution Coefficient, logD

4.189

Water Solubility, LogSw

-4.65

Polar Surface Area

20.195

Acid Dissociation Constant (pKa)

16.24

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

1174-0085 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1174-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1174-0085?
Check Price and Availability of 1174-0085, 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 1174-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1174-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1174-0085
  • 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 1174-0085 available by request