1889-3764 Screening compound: 3,5-dimethylphenyl 2-(2-methylphenoxy)acetate

1889-3764 Screening compound: 3,5-dimethylphenyl 2-(2-methylphenoxy)acetate
1889-3764 Screening compound: 3,5-dimethylphenyl 2-(2-methylphenoxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1889-3764
3,5-dimethylphenyl 2-(2-methylphenoxy)acetate

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

1889-3764

Molecular Formula

C17H18O3 (C17 H18 O3)

Compound Name

3,5-dimethylphenyl 2-(2-methylphenoxy)acetate

IUPAC name

35-dimethylphenyl 2-(2-methylphenoxy)acetate

SMILES

Cc1cc(OC(COc2c(C)cccc2)=O)cc(C)c1

InChI

InChI=1S/C17H18O3/c1-12-8-13(2)10-15(9-12)20-17(18)11-19-16-7-5-4-6-14(16)3/h4-10H,11H2,1-3H3

InChI Key

QZYMGORANHJIIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01071890

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

270.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.252

Distribution Coefficient, logD

4.252

Water Solubility, LogSw

-4.57

Polar Surface Area

27.607

Acid Dissociation Constant (pKa)

23.27

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

1889-3764 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiparasite Library (23996 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
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
Agro:
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1889-3764 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1889-3764?
Check Price and Availability of 1889-3764, 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 1889-3764 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1889-3764
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1889-3764
  • 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 1889-3764 available by request