P181-0862 Screening compound: N-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-1-methyl-1H-pyrazole-5-carboxamide

P181-0862 Screening compound: N-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-1-methyl-1H-pyrazole-5-carboxamide
P181-0862 Screening compound: N-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-1-methyl-1H-pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P181-0862
N-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-1-methyl-1H-pyrazole-5-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

P181-0862

Molecular Formula

C17H12ClN5O2S (C17 H12 ClN5 O2 S)

Compound Name

N-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-1-methyl-1H-pyrazole-5-carboxamide

IUPAC name

N-{2-[3-(4-chlorophenyl)-124-oxadiazol-5-yl]thiophen-3-yl}-1-methyl-1H-pyrazole-5-carboxamide

SMILES

Cn1nccc1C(Nc1c(-c2nc(-c(cc3)ccc3Cl)no2)scc1)=O

InChI

InChI=1S/C17H12ClN5O2S/c1-23-13(6-8-19-23)16(24)20-12-7-9-26-14(12)17-21-15(22-25-17)10-2-4-11(18)5-3-10/h2-9H,1H3,(H,20,24)

InChI Key

PODROBCLSAMUMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27568379

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.83

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.785

Distribution Coefficient, logD

3.785

Water Solubility, LogSw

-4.48

Polar Surface Area

68.706

Acid Dissociation Constant (pKa)

11.62

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

P181-0862 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

SmartTM Library (51161 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • 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 P181-0862 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P181-0862?
Check Price and Availability of P181-0862, 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 P181-0862 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P181-0862
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P181-0862
  • 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 P181-0862 available by request