C226-0921 Screening compound: N-[(4-fluorophenyl)methyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide

C226-0921 Screening compound: N-[(4-fluorophenyl)methyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
C226-0921 Screening compound: N-[(4-fluorophenyl)methyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-0921
N-[(4-fluorophenyl)methyl]-5-(2-methoxyphenyl)-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

C226-0921

Molecular Formula

C18H15FN2O3 (C18 H15 FN2 O3)

Compound Name

N-[(4-fluorophenyl)methyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide

IUPAC name

N-[(4-fluorophenyl)methyl]-5-(2-methoxyphenyl)-12-oxazole-3-carboxamide

SMILES

COc(cccc1)c1-c1cc(C(NCc(cc2)ccc2F)=O)no1

InChI

InChI=1S/C18H15FN2O3/c1-23-16-5-3-2-4-14(16)17-10-15(21-24-17)18(22)20-11-12-6-8-13(19)9-7-12/h2-10H,11H2,1H3,(H,20,22)

InChI Key

FTBLCRVTCRYUDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09782086

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.33

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

3.298

Distribution Coefficient, logD

3.298

Water Solubility, LogSw

-3.83

Polar Surface Area

53.817

Acid Dissociation Constant (pKa)

12.61

Base Dissociation Constant (pKb)

-6.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

C226-0921 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 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 C226-0921 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-0921?
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What is the minimum amount of C226-0921 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-0921
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-0921
  • 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 C226-0921 available by request