C582-0013 Screening compound: 2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}-N-[3-(trifluoromethyl)phenyl]acetamide

C582-0013 Screening compound: 2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}-N-[3-(trifluoromethyl)phenyl]acetamide
C582-0013 Screening compound: 2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}-N-[3-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C582-0013
2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}-N-[3-(trifluoromethyl)phenyl]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

C582-0013

Molecular Formula

C19H14F4N2O3 (C19 H14 F4 N2 O3)

Compound Name

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

IUPAC name

2-{[5-(4-fluorophenyl)-12-oxazol-3-yl]methoxy}-N-[3-(trifluoromethyl)phenyl]acetamide

SMILES

O=C(COCc1noc(-c(cc2)ccc2F)c1)Nc1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C19H14F4N2O3/c20-14-6-4-12(5-7-14)17-9-16(25-28-17)10-27-11-18(26)24-15-3-1-2-13(8-15)19(21,22)23/h1-9H,10-11H2,(H,24,26)

InChI Key

TZOJTPCNFQJMLB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14772733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.623

Distribution Coefficient, logD

4.621

Water Solubility, LogSw

-4.61

Polar Surface Area

53.581

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

-0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

C582-0013 in Drug Discovery

Included in Screening Libraries

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

Antibacterial Compounds Library (13827 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C582-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C582-0013?
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What is the minimum amount of C582-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C582-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C582-0013
  • 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 C582-0013 available by request