P181-0854 Screening compound: N-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-3,4-dimethoxybenzamide

P181-0854 Screening compound: N-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-3,4-dimethoxybenzamide
P181-0854 Screening compound: N-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-3,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P181-0854
N-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-3,4-dimethoxybenzamide

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

P181-0854

Molecular Formula

C21H16ClN3O4S (C21 H16 ClN3 O4 S)

Compound Name

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

IUPAC name

N-{2-[3-(4-chlorophenyl)-124-oxadiazol-5-yl]thiophen-3-yl}-34-dimethoxybenzamide

SMILES

COc(ccc(C(Nc1c(-c2nc(-c(cc3)ccc3Cl)no2)scc1)=O)c1)c1OC

InChI

InChI=1S/C21H16ClN3O4S/c1-27-16-8-5-13(11-17(16)28-2)20(26)23-15-9-10-30-18(15)21-24-19(25-29-21)12-3-6-14(22)7-4-12/h3-11H,1-2H3,(H,23,26)

InChI Key

DTVULHTZSKXDLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27568376

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.89

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.038

Distribution Coefficient, logD

5.038

Water Solubility, LogSw

-5.30

Polar Surface Area

70.317

Acid Dissociation Constant (pKa)

12.60

Base Dissociation Constant (pKb)

-5.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

P181-0854 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 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
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P181-0854 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P181-0854?
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What is the minimum amount of P181-0854 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P181-0854
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P181-0854
  • 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 P181-0854 available by request