C226-0419 Screening compound: 5-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carboxamide

C226-0419 Screening compound: 5-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carboxamide
C226-0419 Screening compound: 5-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-0419
5-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carboxamide

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

C226-0419

Molecular Formula

C17H10ClF3N2O3 (C17 H10 ClF3 N2 O3)

Compound Name

5-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carboxamide

IUPAC name

5-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-12-oxazole-3-carboxamide

SMILES

O=C(c1noc(-c(cc2)ccc2Cl)c1)Nc(cc1)ccc1OC(F)(F)F

InChI

InChI=1S/C17H10ClF3N2O3/c18-11-3-1-10(2-4-11)15-9-14(23-26-15)16(24)22-12-5-7-13(8-6-12)25-17(19,20)21/h1-9H,(H,22,24)

InChI Key

YNZKKFNBXQFRKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09781740

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.73

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.618

Distribution Coefficient, logD

5.618

Water Solubility, LogSw

-6.17

Polar Surface Area

50.802

Acid Dissociation Constant (pKa)

12.22

Base Dissociation Constant (pKb)

-2.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

C226-0419 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C226-0419 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-0419?
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What is the minimum amount of C226-0419 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-0419
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-0419
  • 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 C226-0419 available by request