P181-0655 Screening compound: 5-bromo-N-{2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}furan-2-carboxamide

P181-0655 Screening compound: 5-bromo-N-{2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}furan-2-carboxamide
P181-0655 Screening compound: 5-bromo-N-{2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P181-0655
5-bromo-N-{2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}furan-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

P181-0655

Molecular Formula

C17H9BrFN3O3S (C17 H9 BrFN3 O3 S)

Compound Name

5-bromo-N-{2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}furan-2-carboxamide

IUPAC name

5-bromo-N-{2-[3-(4-fluorophenyl)-124-oxadiazol-5-yl]thiophen-3-yl}furan-2-carboxamide

SMILES

O=C(c(o1)ccc1Br)Nc1c(-c2nc(-c(cc3)ccc3F)no2)scc1

InChI

InChI=1S/C17H9BrFN3O3S/c18-13-6-5-12(24-13)16(23)20-11-7-8-26-14(11)17-21-15(22-25-17)9-1-3-10(19)4-2-9/h1-8H,(H,20,23)

InChI Key

RYJPYICJMXJBQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27568305

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.25

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.985

Distribution Coefficient, logD

4.985

Water Solubility, LogSw

-5.02

Polar Surface Area

63.982

Acid Dissociation Constant (pKa)

10.30

Base Dissociation Constant (pKb)

-5.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

P181-0655 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 P181-0655 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P181-0655?
Check Price and Availability of P181-0655, 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 P181-0655 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P181-0655
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P181-0655
  • 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 P181-0655 available by request