E613-0523 Screening compound: 2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one

E613-0523 Screening compound: 2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one
E613-0523 Screening compound: 2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E613-0523
2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}-1-[4-(pyrimidin-2-yl)piperazin-1-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

E613-0523

Molecular Formula

C20H20FN5O3 (C20 H20 FN5 O3)

Compound Name

2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one

IUPAC name

2-{[5-(4-fluorophenyl)-12-oxazol-3-yl]methoxy}-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one

SMILES

O=C(COCc1noc(-c(cc2)ccc2F)c1)N(CC1)CCN1c1ncccn1

InChI

InChI=1S/C20H20FN5O3/c21-16-4-2-15(3-5-16)18-12-17(24-29-18)13-28-14-19(27)25-8-10-26(11-9-25)20-22-6-1-7-23-20/h1-7,12H,8-11,13-14H2

InChI Key

WHQRMSLVKSWGIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14904088

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.345

Distribution Coefficient, logD

2.345

Water Solubility, LogSw

-2.58

Polar Surface Area

68.447

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

E613-0523 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • Receptor's ligands
Therapeutical areas:
  • Immune system
  • Digestive system
  • Nervous system
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with E613-0523 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E613-0523?
Check Price and Availability of E613-0523, 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 E613-0523 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E613-0523
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E613-0523
  • 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 E613-0523 available by request