P181-0863 Screening compound: N-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-4-cyano-2-fluorobenzamide

P181-0863 Screening compound: N-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-4-cyano-2-fluorobenzamide
P181-0863 Screening compound: N-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-4-cyano-2-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P181-0863
N-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-4-cyano-2-fluorobenzamide

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

P181-0863

Molecular Formula

C20H10ClFN4O2S (C20 H10 ClFN4 O2 S)

Compound Name

N-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-4-cyano-2-fluorobenzamide

IUPAC name

N-{2-[3-(4-chlorophenyl)-124-oxadiazol-5-yl]thiophen-3-yl}-4-cyano-2-fluorobenzamide

SMILES

N#Cc(cc1)cc(F)c1C(Nc1c(-c2nc(-c(cc3)ccc3Cl)no2)scc1)=O

InChI

InChI=1S/C20H10ClFN4O2S/c21-13-4-2-12(3-5-13)18-25-20(28-26-18)17-16(7-8-29-17)24-19(27)14-6-1-11(10-23)9-15(14)22/h1-9H,(H,24,27)

InChI Key

DVIZZLDBIRJJTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27568380

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.84

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.438

Distribution Coefficient, logD

5.438

Water Solubility, LogSw

-6.04

Polar Surface Area

72.112

Acid Dissociation Constant (pKa)

10.15

Base Dissociation Constant (pKb)

-5.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

P181-0863 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P181-0863 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P181-0863?
Check Price and Availability of P181-0863, 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 P181-0863 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P181-0863
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P181-0863
  • 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 P181-0863 available by request