S051-0047 Screening compound: N~1~-(4-fluorobenzyl)-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-azetanecarboxamide

S051-0047 Screening compound: N~1~-(4-fluorobenzyl)-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-azetanecarboxamide
S051-0047 Screening compound: N~1~-(4-fluorobenzyl)-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-azetanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S051-0047
N~1~-(4-fluorobenzyl)-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-azetanecarboxamide

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

S051-0047

Molecular Formula

C20H19FN4O3 (C20 H19 FN4 O3)

Compound Name

N~1~-(4-fluorobenzyl)-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-azetanecarboxamide

IUPAC name

n/a

SMILES

Cc1noc(-c2cccc(OC(C3)CN3C(NCc(cc3)ccc3F)=O)c2)n1

InChI

InChI=1S/C20H19FN4O3/c1-13-23-19(28-24-13)15-3-2-4-17(9-15)27-18-11-25(12-18)20(26)22-10-14-5-7-16(21)8-6-14/h2-9,18H,10-12H2,1H3,(H,22,26)

InChI Key

LXRVVFKTWISKIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29008034

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.502

Distribution Coefficient, logD

2.502

Water Solubility, LogSw

-2.78

Polar Surface Area

64.779

Acid Dissociation Constant (pKa)

13.65

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

S051-0047 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S051-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S051-0047?
Check Price and Availability of S051-0047, 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 S051-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S051-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S051-0047
  • 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 S051-0047 available by request