P181-1065 Screening compound: 3,4-dimethoxy-N-{2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}benzamide

P181-1065 Screening compound: 3,4-dimethoxy-N-{2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}benzamide
P181-1065 Screening compound: 3,4-dimethoxy-N-{2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P181-1065
3,4-dimethoxy-N-{2-[3-(3-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

P181-1065

Molecular Formula

C22H19N3O4S (C22 H19 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(-c2noc(-c(scc3)c3NC(c(cc3)cc(OC)c3OC)=O)n2)c1

InChI

InChI=1S/C22H19N3O4S/c1-13-5-4-6-14(11-13)20-24-22(29-25-20)19-16(9-10-30-19)23-21(26)15-7-8-17(27-2)18(12-15)28-3/h4-12H,1-3H3,(H,23,26)

InChI Key

KZYWKZTXBXIJBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27568412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.48

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

4.812

Distribution Coefficient, logD

4.812

Water Solubility, LogSw

-4.70

Polar Surface Area

70.317

Acid Dissociation Constant (pKa)

12.60

Base Dissociation Constant (pKb)

-5.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

P181-1065 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 P181-1065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P181-1065?
Check Price and Availability of P181-1065, 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 P181-1065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P181-1065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P181-1065
  • 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 P181-1065 available by request