4593-4357 Screening compound: 2-(4-fluorophenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile

4593-4357 Screening compound: 2-(4-fluorophenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile
4593-4357 Screening compound: 2-(4-fluorophenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4593-4357
2-(4-fluorophenyl)-5-(methylamino)-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

4593-4357

Molecular Formula

C11H8FN3O (C11 H8 FN3 O)

Compound Name

2-(4-fluorophenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile

IUPAC name

2-(4-fluorophenyl)-5-(methylamino)-13-oxazole-4-carbonitrile

SMILES

CNc1c(C#N)nc(-c(cc2)ccc2F)o1

InChI

InChI=1S/C11H8FN3O/c1-14-11-9(6-13)15-10(16-11)7-2-4-8(12)5-3-7/h2-5,14H,1H3

InChI Key

XWEWZPLJBGHJKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02970027

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

217.2

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.932

Distribution Coefficient, logD

1.932

Water Solubility, LogSw

-2.31

Polar Surface Area

46.700

Acid Dissociation Constant (pKa)

17.46

Base Dissociation Constant (pKb)

-5.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

4593-4357 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 4593-4357 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4593-4357?
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What is the minimum amount of 4593-4357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4593-4357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4593-4357
  • 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 4593-4357 available by request