E613-0548 Screening compound: ethyl 4-(2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}acetamido)benzoate

E613-0548 Screening compound: ethyl 4-(2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}acetamido)benzoate
E613-0548 Screening compound: ethyl 4-(2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E613-0548
ethyl 4-(2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}acetamido)benzoate

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

E613-0548

Molecular Formula

C21H19FN2O5 (C21 H19 FN2 O5)

Compound Name

ethyl 4-(2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}acetamido)benzoate

IUPAC name

ethyl 4-(2-{[5-(4-fluorophenyl)-12-oxazol-3-yl]methoxy}acetamido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(COCc1noc(-c(cc2)ccc2F)c1)=O)=O

InChI

InChI=1S/C21H19FN2O5/c1-2-28-21(26)15-5-9-17(10-6-15)23-20(25)13-27-12-18-11-19(29-24-18)14-3-7-16(22)8-4-14/h3-11H,2,12-13H2,1H3,(H,23,25)

InChI Key

YSFSYOGNDIMLTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09784049

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.181

Distribution Coefficient, logD

4.181

Water Solubility, LogSw

-4.23

Polar Surface Area

74.335

Acid Dissociation Constant (pKa)

10.61

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

E613-0548 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Therapeutical Diversity Annotated Library (7563 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 E613-0548 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E613-0548?
Check Price and Availability of E613-0548, 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 E613-0548 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E613-0548
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E613-0548
  • 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 E613-0548 available by request