P166-2232 Screening compound: 4-(5-{5-[(pyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl}pyridin-2-yl)thiomorpholine

P166-2232 Screening compound: 4-(5-{5-[(pyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl}pyridin-2-yl)thiomorpholine
P166-2232 Screening compound: 4-(5-{5-[(pyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl}pyridin-2-yl)thiomorpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound P166-2232
4-(5-{5-[(pyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl}pyridin-2-yl)thiomorpholine

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

P166-2232

Molecular Formula

C16H21N5OS (C16 H21 N5 OS)

Compound Name

4-(5-{5-[(pyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl}pyridin-2-yl)thiomorpholine

IUPAC name

4-(5-{5-[(pyrrolidin-1-yl)methyl]-124-oxadiazol-3-yl}pyridin-2-yl)thiomorpholine

SMILES

C(c1nc(-c(cc2)cnc2N2CCSCC2)no1)N1CCCC1

InChI

InChI=1S/C16H21N5OS/c1-2-6-20(5-1)12-15-18-16(19-22-15)13-3-4-14(17-11-13)21-7-9-23-10-8-21/h3-4,11H,1-2,5-10,12H2

InChI Key

NDOIMAVUJYFNRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27567509

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.673

Distribution Coefficient, logD

0.669

Water Solubility, LogSw

-2.71

Polar Surface Area

47.733

Acid Dissociation Constant (pKa)

24.57

Base Dissociation Constant (pKb)

9.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

P166-2232 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P166-2232 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P166-2232?
Check Price and Availability of P166-2232, 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 P166-2232 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P166-2232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P166-2232
  • 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 P166-2232 available by request