E613-0392 Screening compound: 2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}-1-{1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}ethan-1-one

E613-0392 Screening compound: 2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}-1-{1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}ethan-1-one
E613-0392 Screening compound: 2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}-1-{1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E613-0392
2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}-1-{1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}ethan-1-one

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

E613-0392

Molecular Formula

C22H27FN2O3 (C22 H27 FN2 O3)

Compound Name

2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}-1-{1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}ethan-1-one

IUPAC name

2-{[5-(4-fluorophenyl)-12-oxazol-3-yl]methoxy}-1-{133-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}ethan-1-one

SMILES

CC(C1)(C2)CC(C)(C)CC1N2C(COCc1noc(-c(cc2)ccc2F)c1)=O

InChI

InChI=1S/C22H27FN2O3/c1-21(2)9-18-10-22(3,13-21)14-25(18)20(26)12-27-11-17-8-19(28-24-17)15-4-6-16(23)7-5-15/h4-8,18H,9-14H2,1-3H3

InChI Key

GODKQIZZFLFZQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09783963

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.939

Distribution Coefficient, logD

3.939

Water Solubility, LogSw

-4.07

Polar Surface Area

46.510

Acid Dissociation Constant (pKa)

21.79

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

54.50

E613-0392 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

New Agro Library (44492 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Agro:
  • Agro
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E613-0392 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E613-0392?
Check Price and Availability of E613-0392, 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 E613-0392 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E613-0392
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E613-0392
  • 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 E613-0392 available by request