P181-1312 Screening compound: N-{2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-2-(4-methoxyphenoxy)acetamide

P181-1312 Screening compound: N-{2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-2-(4-methoxyphenoxy)acetamide
P181-1312 Screening compound: N-{2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-2-(4-methoxyphenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P181-1312
N-{2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-2-(4-methoxyphenoxy)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

P181-1312

Molecular Formula

C21H16FN3O4S (C21 H16 FN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1OCC(Nc1c(-c2nc(-c3cc(F)ccc3)no2)scc1)=O

InChI

InChI=1S/C21H16FN3O4S/c1-27-15-5-7-16(8-6-15)28-12-18(26)23-17-9-10-30-19(17)21-24-20(25-29-21)13-3-2-4-14(22)11-13/h2-11H,12H2,1H3,(H,23,26)

InChI Key

ZFNAWQROKSFCGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27568461

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.44

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

4.758

Distribution Coefficient, logD

4.758

Water Solubility, LogSw

-4.58

Polar Surface Area

69.885

Acid Dissociation Constant (pKa)

13.15

Base Dissociation Constant (pKb)

-3.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

P181-1312 in Drug Discovery

Included in Screening Libraries

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 P181-1312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P181-1312?
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What is the minimum amount of P181-1312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P181-1312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P181-1312
  • 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 P181-1312 available by request