J006-1801 Screening compound: 2-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl}-6-ethoxyphenol

J006-1801 Screening compound: 2-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl}-6-ethoxyphenol
J006-1801 Screening compound: 2-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl}-6-ethoxyphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound J006-1801
2-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl}-6-ethoxyphenol

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

J006-1801

Molecular Formula

C18H24N2O3 (C18 H24 N2 O3)

Compound Name

2-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl}-6-ethoxyphenol

IUPAC name

2-{[2-(35-dimethyl-12-oxazol-4-yl)pyrrolidin-1-yl]methyl}-6-ethoxyphenol

SMILES

CCOc1cccc(CN(CCC2)C2c2c(C)onc2C)c1O

InChI

InChI=1S/C18H24N2O3/c1-4-22-16-9-5-7-14(18(16)21)11-20-10-6-8-15(20)17-12(2)19-23-13(17)3/h5,7,9,15,21H,4,6,8,10-11H2,1-3H3/t15-/m0/s1

InChI Key

RTXAHXOYEQSGMY-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27215688

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.076

Distribution Coefficient, logD

0.095

Water Solubility, LogSw

-2.81

Polar Surface Area

48.653

Acid Dissociation Constant (pKa)

10.50

Base Dissociation Constant (pKb)

10.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

J006-1801 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Hsp90-Targeted Library (11355 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with J006-1801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J006-1801?
Check Price and Availability of J006-1801, 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 J006-1801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J006-1801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J006-1801
  • 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 J006-1801 available by request