S399-1653 Screening compound: 1-benzyl-3-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}urea

S399-1653 Screening compound: 1-benzyl-3-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}urea
S399-1653 Screening compound: 1-benzyl-3-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound S399-1653
1-benzyl-3-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}urea

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

S399-1653

Molecular Formula

C17H17N5O2 (C17 H17 N5 O2)

Compound Name

1-benzyl-3-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}urea

IUPAC name

1-benzyl-3-{2-[5-(pyridin-3-yl)-124-oxadiazol-3-yl]ethyl}urea

SMILES

O=C(NCCc1noc(-c2cnccc2)n1)NCc1ccccc1

InChI

InChI=1S/C17H17N5O2/c23-17(20-11-13-5-2-1-3-6-13)19-10-8-15-21-16(24-22-15)14-7-4-9-18-12-14/h1-7,9,12H,8,10-11H2,(H2,19,20,23)

InChI Key

NNDKZPIXPMIMQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29006480

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.127

Distribution Coefficient, logD

1.033

Water Solubility, LogSw

-1.12

Polar Surface Area

77.213

Acid Dissociation Constant (pKa)

14.21

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

S399-1653 in Drug Discovery

Included in Screening Libraries

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

Immunological Library (6760 compounds)

Ligand-Gated Ion Channels Library (3887 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:
  • Immune system
  • Nervous system
  • Eye
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Ion Channels
  • Others
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S399-1653 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S399-1653?
Check Price and Availability of S399-1653, 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 S399-1653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S399-1653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S399-1653
  • 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 S399-1653 available by request