P181-1606 Screening compound: N-{2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-2-(methylsulfanyl)pyridine-3-carboxamide

P181-1606 Screening compound: N-{2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-2-(methylsulfanyl)pyridine-3-carboxamide
P181-1606 Screening compound: N-{2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-2-(methylsulfanyl)pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P181-1606
N-{2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-2-(methylsulfanyl)pyridine-3-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

P181-1606

Molecular Formula

C19H12F2N4O2S2 (C19 H12 F2 N4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CSc(nccc1)c1C(Nc1c(-c2nc(-c(cc3)cc(F)c3F)no2)scc1)=O

InChI

InChI=1S/C19H12F2N4O2S2/c1-28-19-11(3-2-7-22-19)17(26)23-14-6-8-29-15(14)18-24-16(25-27-18)10-4-5-12(20)13(21)9-10/h2-9H,1H3,(H,23,26)

InChI Key

GYNDMDRBNRZGBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27568465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.847

Distribution Coefficient, logD

4.847

Water Solubility, LogSw

-4.61

Polar Surface Area

64.235

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

1.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

P181-1606 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Adenosine Receptors Targeted Library (19896 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P181-1606 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P181-1606?
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What is the minimum amount of P181-1606 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P181-1606
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P181-1606
  • 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 P181-1606 available by request