P181-0583 Screening compound: 2-(3,5-dimethoxyphenyl)-N-{2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}acetamide

P181-0583 Screening compound: 2-(3,5-dimethoxyphenyl)-N-{2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}acetamide
P181-0583 Screening compound: 2-(3,5-dimethoxyphenyl)-N-{2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P181-0583
2-(3,5-dimethoxyphenyl)-N-{2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}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

P181-0583

Molecular Formula

C23H21N3O4S (C23 H21 N3 O4 S)

Compound Name

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

IUPAC name

2-(35-dimethoxyphenyl)-N-{2-[3-(4-methylphenyl)-124-oxadiazol-5-yl]thiophen-3-yl}acetamide

SMILES

Cc(cc1)ccc1-c1noc(-c(scc2)c2NC(Cc2cc(OC)cc(OC)c2)=O)n1

InChI

InChI=1S/C23H21N3O4S/c1-14-4-6-16(7-5-14)22-25-23(30-26-22)21-19(8-9-31-21)24-20(27)12-15-10-17(28-2)13-18(11-15)29-3/h4-11,13H,12H2,1-3H3,(H,24,27)

InChI Key

KAGFYBYUOLLHEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27568284

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.999

Distribution Coefficient, logD

4.999

Water Solubility, LogSw

-4.64

Polar Surface Area

69.930

Acid Dissociation Constant (pKa)

12.58

Base Dissociation Constant (pKb)

-3.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

P181-0583 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 P181-0583 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P181-0583?
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What is the minimum amount of P181-0583 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P181-0583
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P181-0583
  • 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 P181-0583 available by request