P181-0636 Screening compound: N-{2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-2-(2-methoxyphenoxy)propanamide

P181-0636 Screening compound: N-{2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-2-(2-methoxyphenoxy)propanamide
P181-0636 Screening compound: N-{2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-2-(2-methoxyphenoxy)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P181-0636
N-{2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-2-(2-methoxyphenoxy)propanamide

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

P181-0636

Molecular Formula

C22H18FN3O4S (C22 H18 FN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C(Nc1c(-c2nc(-c(cc3)ccc3F)no2)scc1)=O)Oc(cccc1)c1OC

InChI

InChI=1S/C22H18FN3O4S/c1-13(29-18-6-4-3-5-17(18)28-2)21(27)24-16-11-12-31-19(16)22-25-20(26-30-22)14-7-9-15(23)10-8-14/h3-13H,1-2H3,(H,24,27)/t13-/m0/s1

InChI Key

LRLQVEKAZSWIJI-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD27568301

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.47

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

5.026

Distribution Coefficient, logD

5.026

Water Solubility, LogSw

-4.69

Polar Surface Area

69.562

Acid Dissociation Constant (pKa)

12.89

Base Dissociation Constant (pKb)

-3.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

P181-0636 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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
  • 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 P181-0636 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P181-0636?
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What is the minimum amount of P181-0636 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P181-0636
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P181-0636
  • 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 P181-0636 available by request