P181-1214 Screening compound: 2-(4-ethoxyphenyl)-N-{2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}acetamide

P181-1214 Screening compound: 2-(4-ethoxyphenyl)-N-{2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}acetamide
P181-1214 Screening compound: 2-(4-ethoxyphenyl)-N-{2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P181-1214
2-(4-ethoxyphenyl)-N-{2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}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

P181-1214

Molecular Formula

C22H18FN3O3S (C22 H18 FN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc1ccc(CC(Nc2c(-c3nc(-c4cc(F)ccc4)no3)scc2)=O)cc1

InChI

InChI=1S/C22H18FN3O3S/c1-2-28-17-8-6-14(7-9-17)12-19(27)24-18-10-11-30-20(18)22-25-21(26-29-22)15-4-3-5-16(23)13-15/h3-11,13H,2,12H2,1H3,(H,24,27)

InChI Key

GMMXWEHCIVIENA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27568435

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.47

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

4.999

Distribution Coefficient, logD

4.999

Water Solubility, LogSw

-4.64

Polar Surface Area

61.966

Acid Dissociation Constant (pKa)

12.58

Base Dissociation Constant (pKb)

-3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

P181-1214 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P181-1214 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P181-1214?
Check Price and Availability of P181-1214, 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 P181-1214 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P181-1214
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P181-1214
  • 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 P181-1214 available by request