E613-0586 Screening compound: N-[(1-ethylpyrrolidin-2-yl)methyl]-2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}acetamide

E613-0586 Screening compound: N-[(1-ethylpyrrolidin-2-yl)methyl]-2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}acetamide
E613-0586 Screening compound: N-[(1-ethylpyrrolidin-2-yl)methyl]-2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E613-0586
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}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

E613-0586

Molecular Formula

C19H24FN3O3 (C19 H24 FN3 O3)

Compound Name

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

IUPAC name

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-{[5-(4-fluorophenyl)-12-oxazol-3-yl]methoxy}acetamide

SMILES

CCN1C(CNC(COCc2noc(-c(cc3)ccc3F)c2)=O)CCC1

InChI

InChI=1S/C19H24FN3O3/c1-2-23-9-3-4-17(23)11-21-19(24)13-25-12-16-10-18(26-22-16)14-5-7-15(20)8-6-14/h5-8,10,17H,2-4,9,11-13H2,1H3,(H,21,24)/t17-/m1/s1

InChI Key

HLDXJNCTXUKTLM-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD14904106

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.003

Distribution Coefficient, logD

0.787

Water Solubility, LogSw

-2.44

Polar Surface Area

58.810

Acid Dissociation Constant (pKa)

13.31

Base Dissociation Constant (pKb)

8.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.40

E613-0586 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS BBB Library (22607 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E613-0586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E613-0586?
Check Price and Availability of E613-0586, 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 E613-0586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E613-0586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E613-0586
  • 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 E613-0586 available by request