P166-2045 Screening compound: N-benzyl-N-methyl-5-{5-[(pyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl}pyridin-2-amine

P166-2045 Screening compound: N-benzyl-N-methyl-5-{5-[(pyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl}pyridin-2-amine
P166-2045 Screening compound: N-benzyl-N-methyl-5-{5-[(pyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl}pyridin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound P166-2045
N-benzyl-N-methyl-5-{5-[(pyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl}pyridin-2-amine

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

P166-2045

Molecular Formula

C20H23N5O (C20 H23 N5 O)

Compound Name

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

IUPAC name

N-benzyl-N-methyl-5-{5-[(pyrrolidin-1-yl)methyl]-124-oxadiazol-3-yl}pyridin-2-amine

SMILES

CN(Cc1ccccc1)c(cc1)ncc1-c1noc(CN2CCCC2)n1

InChI

InChI=1S/C20H23N5O/c1-24(14-16-7-3-2-4-8-16)18-10-9-17(13-21-18)20-22-19(26-23-20)15-25-11-5-6-12-25/h2-4,7-10,13H,5-6,11-12,14-15H2,1H3

InChI Key

TUFTWDFXHPLVML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27567482

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.686

Distribution Coefficient, logD

2.204

Water Solubility, LogSw

-3.69

Polar Surface Area

47.236

Acid Dissociation Constant (pKa)

23.29

Base Dissociation Constant (pKb)

8.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

P166-2045 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

SmartTM Library (51161 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 P166-2045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P166-2045?
Check Price and Availability of P166-2045, 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 P166-2045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P166-2045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P166-2045
  • 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 P166-2045 available by request