6409-0018 Screening compound: 2-(4-fluorophenyl)-5-[(4-methoxyphenyl)amino]-1,3-oxazole-4-carbonitrile

6409-0018 Screening compound: 2-(4-fluorophenyl)-5-[(4-methoxyphenyl)amino]-1,3-oxazole-4-carbonitrile
6409-0018 Screening compound: 2-(4-fluorophenyl)-5-[(4-methoxyphenyl)amino]-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 6409-0018
2-(4-fluorophenyl)-5-[(4-methoxyphenyl)amino]-1,3-oxazole-4-carbonitrile

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

6409-0018

Molecular Formula

C17H12FN3O2 (C17 H12 FN3 O2)

Compound Name

2-(4-fluorophenyl)-5-[(4-methoxyphenyl)amino]-1,3-oxazole-4-carbonitrile

IUPAC name

2-(4-fluorophenyl)-5-[(4-methoxyphenyl)amino]-13-oxazole-4-carbonitrile

SMILES

COc(cc1)ccc1Nc1c(C#N)nc(-c(cc2)ccc2F)o1

InChI

InChI=1S/C17H12FN3O2/c1-22-14-8-6-13(7-9-14)20-17-15(10-19)21-16(23-17)11-2-4-12(18)5-3-11/h2-9,20H,1H3

InChI Key

LUSOSEJHURWLPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02970015

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.864

Distribution Coefficient, logD

3.864

Water Solubility, LogSw

-4.22

Polar Surface Area

52.499

Acid Dissociation Constant (pKa)

16.67

Base Dissociation Constant (pKb)

-6.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

6409-0018 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6409-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6409-0018?
Check Price and Availability of 6409-0018, 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 6409-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6409-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6409-0018
  • 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 6409-0018 available by request