5677-0254 Screening compound: 2-[(4-fluorophenoxy)methyl]-5-{[3-(1H-imidazol-1-yl)propyl]amino}-1,3-oxazole-4-carbonitrile

5677-0254 Screening compound: 2-[(4-fluorophenoxy)methyl]-5-{[3-(1H-imidazol-1-yl)propyl]amino}-1,3-oxazole-4-carbonitrile
5677-0254 Screening compound: 2-[(4-fluorophenoxy)methyl]-5-{[3-(1H-imidazol-1-yl)propyl]amino}-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 5677-0254
2-[(4-fluorophenoxy)methyl]-5-{[3-(1H-imidazol-1-yl)propyl]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

5677-0254

Molecular Formula

C17H16FN5O2 (C17 H16 FN5 O2)

Compound Name

2-[(4-fluorophenoxy)methyl]-5-{[3-(1H-imidazol-1-yl)propyl]amino}-1,3-oxazole-4-carbonitrile

IUPAC name

2-[(4-fluorophenoxy)methyl]-5-{[3-(1H-imidazol-1-yl)propyl]amino}-13-oxazole-4-carbonitrile

SMILES

N#Cc1c(NCCCn2cncc2)oc(COc(cc2)ccc2F)n1

InChI

InChI=1S/C17H16FN5O2/c18-13-2-4-14(5-3-13)24-11-16-22-15(10-19)17(25-16)21-6-1-8-23-9-7-20-12-23/h2-5,7,9,12,21H,1,6,8,11H2

InChI Key

LZHVIPISAHVSNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03523597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.774

Distribution Coefficient, logD

1.532

Water Solubility, LogSw

-1.76

Polar Surface Area

66.084

Acid Dissociation Constant (pKa)

14.53

Base Dissociation Constant (pKb)

7.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

5677-0254 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)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5677-0254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5677-0254?
Check Price and Availability of 5677-0254, 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 5677-0254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5677-0254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5677-0254
  • 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 5677-0254 available by request