S399-0387 Screening compound: N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-fluoro-4-methoxybenzamide

S399-0387 Screening compound: N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-fluoro-4-methoxybenzamide
S399-0387 Screening compound: N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-fluoro-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S399-0387
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-fluoro-4-methoxybenzamide

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

S399-0387

Molecular Formula

C15H16FN3O3 (C15 H16 FN3 O3)

Compound Name

N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-fluoro-4-methoxybenzamide

IUPAC name

N-[2-(5-cyclopropyl-124-oxadiazol-3-yl)ethyl]-3-fluoro-4-methoxybenzamide

SMILES

COc(ccc(C(NCCc1noc(C2CC2)n1)=O)c1)c1F

InChI

InChI=1S/C15H16FN3O3/c1-21-12-5-4-10(8-11(12)16)14(20)17-7-6-13-18-15(22-19-13)9-2-3-9/h4-5,8-9H,2-3,6-7H2,1H3,(H,17,20)

InChI Key

ZHOWTUYLEGSRSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29004950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.31

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

2.283

Distribution Coefficient, logD

2.283

Water Solubility, LogSw

-2.94

Polar Surface Area

65.315

Acid Dissociation Constant (pKa)

12.95

Base Dissociation Constant (pKb)

-1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

S399-0387 in Drug Discovery

Included in Screening Libraries

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 S399-0387 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S399-0387?
Check Price and Availability of S399-0387, 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 S399-0387 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S399-0387
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S399-0387
  • 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 S399-0387 available by request