8019-7973 Screening compound: 4-(5-benzyl-4,5-dihydro-3-isoxazolyl)phenyl methyl ether

8019-7973 Screening compound: 4-(5-benzyl-4,5-dihydro-3-isoxazolyl)phenyl methyl ether
8019-7973 Screening compound: 4-(5-benzyl-4,5-dihydro-3-isoxazolyl)phenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-7973
4-(5-benzyl-4,5-dihydro-3-isoxazolyl)phenyl methyl ether

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

8019-7973

Molecular Formula

C17H17NO2 (C17 H17 NO2)

Compound Name

4-(5-benzyl-4,5-dihydro-3-isoxazolyl)phenyl methyl ether

IUPAC name

5-benzyl-3-(4-methoxyphenyl)-45-dihydro-12-oxazole

SMILES

COc(cc1)ccc1C1=NOC(Cc2ccccc2)C1

InChI

InChI=1S/C17H17NO2/c1-19-15-9-7-14(8-10-15)17-12-16(20-18-17)11-13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3/t16-/m0/s1

InChI Key

FKBVNJUSEHGABZ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD10039492

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

267.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.179

Distribution Coefficient, logD

4.179

Water Solubility, LogSw

-4.34

Polar Surface Area

30.346

Acid Dissociation Constant (pKa)

21.43

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.53

8019-7973 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 compounds)

Antimitotic Tubulin Library (17355 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8019-7973 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-7973?
Check Price and Availability of 8019-7973, 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 8019-7973 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-7973
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-7973
  • 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 8019-7973 available by request