1889-1861 Screening compound: 2,6-dimethylphenyl 2-(4-propylphenoxy)acetate

1889-1861 Screening compound: 2,6-dimethylphenyl 2-(4-propylphenoxy)acetate
1889-1861 Screening compound: 2,6-dimethylphenyl 2-(4-propylphenoxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1889-1861
2,6-dimethylphenyl 2-(4-propylphenoxy)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

1889-1861

Molecular Formula

C19H22O3 (C19 H22 O3)

Compound Name

2,6-dimethylphenyl 2-(4-propylphenoxy)acetate

IUPAC name

26-dimethylphenyl 2-(4-propylphenoxy)acetate

SMILES

CCCc(cc1)ccc1OCC(Oc1c(C)cccc1C)=O

InChI

InChI=1S/C19H22O3/c1-4-6-16-9-11-17(12-10-16)21-13-18(20)22-19-14(2)7-5-8-15(19)3/h5,7-12H,4,6,13H2,1-3H3

InChI Key

XSBSJYZXFYVFTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01034916

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.193

Distribution Coefficient, logD

5.193

Water Solubility, LogSw

-5.16

Polar Surface Area

27.694

Acid Dissociation Constant (pKa)

23.27

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

1889-1861 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Cardiovascular Library (22201 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cardiovascular
  • 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 1889-1861 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1889-1861?
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What is the minimum amount of 1889-1861 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1889-1861
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1889-1861
  • 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 1889-1861 available by request