J006-2954 Screening compound: 4-{[2-(5-ethyl-3-methyl-4-isoxazolyl)-1-pyrrolidinyl]methyl}phenyl methyl ether

J006-2954 Screening compound: 4-{[2-(5-ethyl-3-methyl-4-isoxazolyl)-1-pyrrolidinyl]methyl}phenyl methyl ether
J006-2954 Screening compound: 4-{[2-(5-ethyl-3-methyl-4-isoxazolyl)-1-pyrrolidinyl]methyl}phenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound J006-2954
4-{[2-(5-ethyl-3-methyl-4-isoxazolyl)-1-pyrrolidinyl]methyl}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

J006-2954

Molecular Formula

C18H24N2O2 (C18 H24 N2 O2)

Compound Name

4-{[2-(5-ethyl-3-methyl-4-isoxazolyl)-1-pyrrolidinyl]methyl}phenyl methyl ether

IUPAC name

5-ethyl-4-{1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl}-3-methyl-12-oxazole

SMILES

CCc1c(C2N(Cc(cc3)ccc3OC)CCC2)c(C)no1

InChI

InChI=1S/C18H24N2O2/c1-4-17-18(13(2)19-22-17)16-6-5-11-20(16)12-14-7-9-15(21-3)10-8-14/h7-10,16H,4-6,11-12H2,1-3H3/t16-/m0/s1

InChI Key

SJRCMALRLNXXJF-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27215985

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.253

Distribution Coefficient, logD

1.805

Water Solubility, LogSw

-3.11

Polar Surface Area

33.256

Acid Dissociation Constant (pKa)

21.33

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

J006-2954 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with J006-2954 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J006-2954?
Check Price and Availability of J006-2954, 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 J006-2954 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J006-2954
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J006-2954
  • 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 J006-2954 available by request