E613-0514 Screening compound: 2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}-N-(4-phenylbutan-2-yl)acetamide

E613-0514 Screening compound: 2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}-N-(4-phenylbutan-2-yl)acetamide
E613-0514 Screening compound: 2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}-N-(4-phenylbutan-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E613-0514
2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}-N-(4-phenylbutan-2-yl)acetamide

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

E613-0514

Molecular Formula

C22H23FN2O3 (C22 H23 FN2 O3)

Compound Name

2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}-N-(4-phenylbutan-2-yl)acetamide

IUPAC name

2-{[5-(4-fluorophenyl)-12-oxazol-3-yl]methoxy}-N-(4-phenylbutan-2-yl)acetamide

SMILES

CC(CCc1ccccc1)NC(COCc1noc(-c(cc2)ccc2F)c1)=O

InChI

InChI=1S/C22H23FN2O3/c1-16(7-8-17-5-3-2-4-6-17)24-22(26)15-27-14-20-13-21(28-25-20)18-9-11-19(23)12-10-18/h2-6,9-13,16H,7-8,14-15H2,1H3,(H,24,26)/t16-/m0/s1

InChI Key

ALYTUSYOSVFQFB-INIZCTEOSA-N

MDL Number (MFCD)

MFCD09784029

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.160

Distribution Coefficient, logD

4.160

Water Solubility, LogSw

-4.30

Polar Surface Area

54.345

Acid Dissociation Constant (pKa)

14.74

Base Dissociation Constant (pKb)

0.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

E613-0514 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E613-0514 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E613-0514?
Check Price and Availability of E613-0514, 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 E613-0514 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E613-0514
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E613-0514
  • 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 E613-0514 available by request