E613-0659 Screening compound: N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}acetamide

E613-0659 Screening compound: N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}acetamide
E613-0659 Screening compound: N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E613-0659
N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-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

E613-0659

Molecular Formula

C26H30ClFN4O3 (C26 H30 ClFN4 O3)

Compound Name

N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}acetamide

IUPAC name

N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-2-{[5-(4-fluorophenyl)-12-oxazol-3-yl]methoxy}acetamide

SMILES

Cc(ccc(Cl)c1)c1N1CCN(CCCNC(COCc2noc(-c(cc3)ccc3F)c2)=O)CC1

InChI

InChI=1S/C26H30ClFN4O3/c1-19-3-6-21(27)15-24(19)32-13-11-31(12-14-32)10-2-9-29-26(33)18-34-17-23-16-25(35-30-23)20-4-7-22(28)8-5-20/h3-8,15-16H,2,9-14,17-18H2,1H3,(H,29,33)

InChI Key

NREXZCGXQOUJOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14904131

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.153

Distribution Coefficient, logD

2.952

Water Solubility, LogSw

-4.35

Polar Surface Area

61.687

Acid Dissociation Constant (pKa)

15.30

Base Dissociation Constant (pKb)

8.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

E613-0659 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with E613-0659 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E613-0659?
Check Price and Availability of E613-0659, 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 E613-0659 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E613-0659
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E613-0659
  • 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 E613-0659 available by request