P181-1744 Screening compound: 5-chloro-N-{2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}thiophene-2-carboxamide

P181-1744 Screening compound: 5-chloro-N-{2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}thiophene-2-carboxamide
P181-1744 Screening compound: 5-chloro-N-{2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P181-1744
5-chloro-N-{2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}thiophene-2-carboxamide

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

P181-1744

Molecular Formula

C17H8ClF2N3O2S2 (C17 H8 ClF2 N3 O2 S2)

Compound Name

5-chloro-N-{2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}thiophene-2-carboxamide

IUPAC name

5-chloro-N-{2-[3-(34-difluorophenyl)-124-oxadiazol-5-yl]thiophen-3-yl}thiophene-2-carboxamide

SMILES

O=C(c(s1)ccc1Cl)Nc1c(-c2nc(-c(cc3)cc(F)c3F)no2)scc1

InChI

InChI=1S/C17H8ClF2N3O2S2/c18-13-4-3-12(27-13)16(24)21-11-5-6-26-14(11)17-22-15(23-25-17)8-1-2-9(19)10(20)7-8/h1-7H,(H,21,24)

InChI Key

MIMZBALBFUBYGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27568481

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.898

Distribution Coefficient, logD

5.898

Water Solubility, LogSw

-6.24

Polar Surface Area

56.074

Acid Dissociation Constant (pKa)

10.75

Base Dissociation Constant (pKb)

-4.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

P181-1744 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 P181-1744 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P181-1744?
Check Price and Availability of P181-1744, 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 P181-1744 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P181-1744
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P181-1744
  • 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 P181-1744 available by request