P181-0852 Screening compound: N-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-4-acetamidobenzamide

P181-0852 Screening compound: N-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-4-acetamidobenzamide
P181-0852 Screening compound: N-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-4-acetamidobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P181-0852
N-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-4-acetamidobenzamide

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

P181-0852

Molecular Formula

C21H15ClN4O3S (C21 H15 ClN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(Nc(cc1)ccc1C(Nc1c(-c2nc(-c(cc3)ccc3Cl)no2)scc1)=O)=O

InChI

InChI=1S/C21H15ClN4O3S/c1-12(27)23-16-8-4-14(5-9-16)20(28)24-17-10-11-30-18(17)21-25-19(26-29-21)13-2-6-15(22)7-3-13/h2-11H,1H3,(H,23,27)(H,24,28)

InChI Key

LFYBEHAXATZEKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27568375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.89

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.615

Distribution Coefficient, logD

4.614

Water Solubility, LogSw

-4.77

Polar Surface Area

78.318

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

P181-0852 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with P181-0852 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P181-0852?
Check Price and Availability of P181-0852, 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 P181-0852 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P181-0852
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P181-0852
  • 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 P181-0852 available by request