P181-0828 Screening compound: N-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-2-(pyridin-4-ylsulfanyl)acetamide

P181-0828 Screening compound: N-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-2-(pyridin-4-ylsulfanyl)acetamide
P181-0828 Screening compound: N-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-2-(pyridin-4-ylsulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P181-0828
N-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-2-(pyridin-4-ylsulfanyl)acetamide

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

P181-0828

Molecular Formula

C19H13ClN4O2S2 (C19 H13 ClN4 O2 S2)

Compound Name

N-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-2-(pyridin-4-ylsulfanyl)acetamide

IUPAC name

N-{2-[3-(4-chlorophenyl)-124-oxadiazol-5-yl]thiophen-3-yl}-2-(pyridin-4-ylsulfanyl)acetamide

SMILES

O=C(CSc1ccncc1)Nc1c(-c2nc(-c(cc3)ccc3Cl)no2)scc1

InChI

InChI=1S/C19H13ClN4O2S2/c20-13-3-1-12(2-4-13)18-23-19(26-24-18)17-15(7-10-27-17)22-16(25)11-28-14-5-8-21-9-6-14/h1-10H,11H2,(H,22,25)

InChI Key

NJGISNHHTIQHJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27568368

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.92

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.181

Distribution Coefficient, logD

4.129

Water Solubility, LogSw

-4.64

Polar Surface Area

64.271

Acid Dissociation Constant (pKa)

13.15

Base Dissociation Constant (pKb)

6.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

P181-0828 in Drug Discovery

Included in Screening Libraries

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
  • 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 P181-0828 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P181-0828?
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What is the minimum amount of P181-0828 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P181-0828
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P181-0828
  • 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 P181-0828 available by request