P181-1672 Screening compound: N-{2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-3-(4-methoxyphenyl)propanamide

P181-1672 Screening compound: N-{2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-3-(4-methoxyphenyl)propanamide
P181-1672 Screening compound: N-{2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-3-(4-methoxyphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P181-1672
N-{2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-3-(4-methoxyphenyl)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

P181-1672

Molecular Formula

C22H17F2N3O3S (C22 H17 F2 N3 O3 S)

Compound Name

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

IUPAC name

N-{2-[3-(34-difluorophenyl)-124-oxadiazol-5-yl]thiophen-3-yl}-3-(4-methoxyphenyl)propanamide

SMILES

COc1ccc(CCC(Nc2c(-c3nc(-c(cc4)cc(F)c4F)no3)scc2)=O)cc1

InChI

InChI=1S/C22H17F2N3O3S/c1-29-15-6-2-13(3-7-15)4-9-19(28)25-18-10-11-31-20(18)22-26-21(27-30-22)14-5-8-16(23)17(24)12-14/h2-3,5-8,10-12H,4,9H2,1H3,(H,25,28)

InChI Key

LOVDFJMAFUWAFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27568473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.46

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

5.354

Distribution Coefficient, logD

5.354

Water Solubility, LogSw

-5.36

Polar Surface Area

62.386

Acid Dissociation Constant (pKa)

12.59

Base Dissociation Constant (pKb)

-3.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

P181-1672 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 P181-1672 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P181-1672?
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What is the minimum amount of P181-1672 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P181-1672
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P181-1672
  • 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 P181-1672 available by request