S399-1556 Screening compound: 3-cyclopentyl-N-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}propanamide

S399-1556 Screening compound: 3-cyclopentyl-N-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}propanamide
S399-1556 Screening compound: 3-cyclopentyl-N-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S399-1556
3-cyclopentyl-N-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}propanamide

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

S399-1556

Molecular Formula

C17H22N4O2 (C17 H22 N4 O2)

Compound Name

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

IUPAC name

3-cyclopentyl-N-{2-[5-(pyridin-3-yl)-124-oxadiazol-3-yl]ethyl}propanamide

SMILES

O=C(CCC1CCCC1)NCCc1noc(-c2cnccc2)n1

InChI

InChI=1S/C17H22N4O2/c22-16(8-7-13-4-1-2-5-13)19-11-9-15-20-17(23-21-15)14-6-3-10-18-12-14/h3,6,10,12-13H,1-2,4-5,7-9,11H2,(H,19,22)

InChI Key

ABPJYEWGIGZPHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29006498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.786

Distribution Coefficient, logD

1.692

Water Solubility, LogSw

-1.41

Polar Surface Area

67.024

Acid Dissociation Constant (pKa)

14.85

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.90

S399-1556 in Drug Discovery

Included in Screening Libraries

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

Ligand-Gated Ion Channels Library (3887 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Eye
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S399-1556 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S399-1556?
Check Price and Availability of S399-1556, 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 S399-1556 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S399-1556
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S399-1556
  • 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 S399-1556 available by request