C651-0416 Screening compound: 3-(2-fluorophenyl)-N-[(pyridin-2-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C651-0416 Screening compound: 3-(2-fluorophenyl)-N-[(pyridin-2-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
C651-0416 Screening compound: 3-(2-fluorophenyl)-N-[(pyridin-2-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C651-0416
3-(2-fluorophenyl)-N-[(pyridin-2-yl)methyl]-4,5-dihydro-1,2-oxazole-5-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

C651-0416

Molecular Formula

C16H14FN3O2 (C16 H14 FN3 O2)

Compound Name

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

IUPAC name

3-(2-fluorophenyl)-N-[(pyridin-2-yl)methyl]-45-dihydro-12-oxazole-5-carboxamide

SMILES

O=C(C(C1)ON=C1c(cccc1)c1F)NCc1ncccc1

InChI

InChI=1S/C16H14FN3O2/c17-13-7-2-1-6-12(13)14-9-15(22-20-14)16(21)19-10-11-5-3-4-8-18-11/h1-8,15H,9-10H2,(H,19,21)/t15-/m1/s1

InChI Key

DFCBPGJLPRSUHM-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD14461132

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.723

Distribution Coefficient, logD

1.723

Water Solubility, LogSw

-2.31

Polar Surface Area

56.788

Acid Dissociation Constant (pKa)

12.30

Base Dissociation Constant (pKb)

4.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

C651-0416 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C651-0416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C651-0416?
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What is the minimum amount of C651-0416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C651-0416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C651-0416
  • 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 C651-0416 available by request