E613-0436 Screening compound: 2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}-N-{1-[(4-fluorophenyl)methyl]-1H-pyrazol-4-yl}acetamide

E613-0436 Screening compound: 2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}-N-{1-[(4-fluorophenyl)methyl]-1H-pyrazol-4-yl}acetamide
E613-0436 Screening compound: 2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}-N-{1-[(4-fluorophenyl)methyl]-1H-pyrazol-4-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E613-0436
2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}-N-{1-[(4-fluorophenyl)methyl]-1H-pyrazol-4-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

E613-0436

Molecular Formula

C22H18F2N4O3 (C22 H18 F2 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(COCc1noc(-c(cc2)ccc2F)c1)Nc1cn(Cc(cc2)ccc2F)nc1

InChI

InChI=1S/C22H18F2N4O3/c23-17-5-1-15(2-6-17)11-28-12-20(10-25-28)26-22(29)14-30-13-19-9-21(31-27-19)16-3-7-18(24)8-4-16/h1-10,12H,11,13-14H2,(H,26,29)

InChI Key

CNIPRFVXEMPBDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09783983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.347

Distribution Coefficient, logD

3.347

Water Solubility, LogSw

-3.35

Polar Surface Area

68.087

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

-1.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

E613-0436 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E613-0436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E613-0436?
Check Price and Availability of E613-0436, 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 E613-0436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E613-0436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E613-0436
  • 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 E613-0436 available by request