S341-0557 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carboxamide

S341-0557 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carboxamide
S341-0557 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S341-0557
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carboxamide

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

S341-0557

Molecular Formula

C19H18FN3O4 (C19 H18 FN3 O4)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carboxamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-5-(4-fluorophenyl)-124-oxadiazole-3-carboxamide

SMILES

COc(ccc(CCNC(c1noc(-c(cc2)ccc2F)n1)=O)c1)c1OC

InChI

InChI=1S/C19H18FN3O4/c1-25-15-8-3-12(11-16(15)26-2)9-10-21-18(24)17-22-19(27-23-17)13-4-6-14(20)7-5-13/h3-8,11H,9-10H2,1-2H3,(H,21,24)

InChI Key

ZEYPTGFSCYNAKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28122384

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.551

Distribution Coefficient, logD

2.551

Water Solubility, LogSw

-2.92

Polar Surface Area

71.431

Acid Dissociation Constant (pKa)

14.19

Base Dissociation Constant (pKb)

-4.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

S341-0557 in Drug Discovery

Included in Screening Libraries

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

Ligand-Gated Ion Channels Library (3887 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
  • Epigenetic

References: we are preparing a list of scientific research reports with S341-0557 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S341-0557?
Check Price and Availability of S341-0557, 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 S341-0557 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S341-0557
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S341-0557
  • 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 S341-0557 available by request