S399-0996 Screening compound: 2-(2-fluorophenyl)-N-{2-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}acetamide

S399-0996 Screening compound: 2-(2-fluorophenyl)-N-{2-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}acetamide
S399-0996 Screening compound: 2-(2-fluorophenyl)-N-{2-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S399-0996
2-(2-fluorophenyl)-N-{2-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}acetamide

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

S399-0996

Molecular Formula

C17H15FN4O2 (C17 H15 FN4 O2)

Compound Name

2-(2-fluorophenyl)-N-{2-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}acetamide

IUPAC name

2-(2-fluorophenyl)-N-{2-[5-(pyridin-4-yl)-124-oxadiazol-3-yl]ethyl}acetamide

SMILES

O=C(Cc(cccc1)c1F)NCCc1noc(-c2ccncc2)n1

InChI

InChI=1S/C17H15FN4O2/c18-14-4-2-1-3-13(14)11-16(23)20-10-7-15-21-17(24-22-15)12-5-8-19-9-6-12/h1-6,8-9H,7,10-11H2,(H,20,23)

InChI Key

GBGWICHTPRUWRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29005411

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.677

Distribution Coefficient, logD

1.677

Water Solubility, LogSw

-1.56

Polar Surface Area

66.376

Acid Dissociation Constant (pKa)

14.43

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

S399-0996 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Immunological Library (6760 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S399-0996 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S399-0996?
Check Price and Availability of S399-0996, 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 S399-0996 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S399-0996
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S399-0996
  • 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 S399-0996 available by request