P181-0525 Screening compound: 4-methoxy-N-{2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}benzamide

P181-0525 Screening compound: 4-methoxy-N-{2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}benzamide
P181-0525 Screening compound: 4-methoxy-N-{2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P181-0525
4-methoxy-N-{2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}benzamide

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

P181-0525

Molecular Formula

C21H17N3O3S (C21 H17 N3 O3 S)

Compound Name

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

IUPAC name

4-methoxy-N-{2-[3-(4-methylphenyl)-124-oxadiazol-5-yl]thiophen-3-yl}benzamide

SMILES

Cc(cc1)ccc1-c1noc(-c(scc2)c2NC(c(cc2)ccc2OC)=O)n1

InChI

InChI=1S/C21H17N3O3S/c1-13-3-5-14(6-4-13)19-23-21(27-24-19)18-17(11-12-28-18)22-20(25)15-7-9-16(26-2)10-8-15/h3-12H,1-2H3,(H,22,25)

InChI Key

IYOIOWPSUBFYOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27568266

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.225

Distribution Coefficient, logD

5.224

Water Solubility, LogSw

-5.06

Polar Surface Area

62.600

Acid Dissociation Constant (pKa)

11.99

Base Dissociation Constant (pKb)

-5.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

P181-0525 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with P181-0525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P181-0525?
Check Price and Availability of P181-0525, 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 P181-0525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P181-0525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P181-0525
  • 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 P181-0525 available by request