P181-0963 Screening compound: N-{2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}pyridine-2-carboxamide

P181-0963 Screening compound: N-{2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}pyridine-2-carboxamide
P181-0963 Screening compound: N-{2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P181-0963
N-{2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}pyridine-2-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

P181-0963

Molecular Formula

C19H14N4O2S (C19 H14 N4 O2 S)

Compound Name

N-{2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}pyridine-2-carboxamide

IUPAC name

N-{2-[3-(3-methylphenyl)-124-oxadiazol-5-yl]thiophen-3-yl}pyridine-2-carboxamide

SMILES

Cc1cccc(-c2noc(-c(scc3)c3NC(c3ncccc3)=O)n2)c1

InChI

InChI=1S/C19H14N4O2S/c1-12-5-4-6-13(11-12)17-22-19(25-23-17)16-14(8-10-26-16)21-18(24)15-7-2-3-9-20-15/h2-11H,1H3,(H,21,24)

InChI Key

FRSXVBGDKZOENB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27568394

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.317

Distribution Coefficient, logD

4.317

Water Solubility, LogSw

-4.39

Polar Surface Area

64.104

Acid Dissociation Constant (pKa)

11.55

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

P181-0963 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 P181-0963 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P181-0963?
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What is the minimum amount of P181-0963 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P181-0963
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P181-0963
  • 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 P181-0963 available by request