P181-0718 Screening compound: N-{2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-1H-indole-4-carboxamide

P181-0718 Screening compound: N-{2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-1H-indole-4-carboxamide
P181-0718 Screening compound: N-{2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-1H-indole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P181-0718
N-{2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-1H-indole-4-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

P181-0718

Molecular Formula

C21H13FN4O2S (C21 H13 FN4 O2 S)

Compound Name

N-{2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-1H-indole-4-carboxamide

IUPAC name

N-{2-[3-(4-fluorophenyl)-124-oxadiazol-5-yl]thiophen-3-yl}-1H-indole-4-carboxamide

SMILES

O=C(c1c(cc[nH]2)c2ccc1)Nc1c(-c2nc(-c(cc3)ccc3F)no2)scc1

InChI

InChI=1S/C21H13FN4O2S/c22-13-6-4-12(5-7-13)19-25-21(28-26-19)18-17(9-11-29-18)24-20(27)15-2-1-3-16-14(15)8-10-23-16/h1-11,23H,(H,24,27)

InChI Key

QKGVOGFDDBMMCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27568332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.841

Distribution Coefficient, logD

4.841

Water Solubility, LogSw

-5.01

Polar Surface Area

64.837

Acid Dissociation Constant (pKa)

14.05

Base Dissociation Constant (pKb)

-3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

P181-0718 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Indole Derivatives (10091 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
Structure:
  • Cyclic compounds
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P181-0718 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P181-0718?
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What is the minimum amount of P181-0718 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P181-0718
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P181-0718
  • 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 P181-0718 available by request