P166-2041 Screening compound: N-benzyl-5-(5-{[cyclohexyl(methyl)amino]methyl}-1,2,4-oxadiazol-3-yl)-N-methylpyridin-2-amine

P166-2041 Screening compound: N-benzyl-5-(5-{[cyclohexyl(methyl)amino]methyl}-1,2,4-oxadiazol-3-yl)-N-methylpyridin-2-amine
P166-2041 Screening compound: N-benzyl-5-(5-{[cyclohexyl(methyl)amino]methyl}-1,2,4-oxadiazol-3-yl)-N-methylpyridin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound P166-2041
N-benzyl-5-(5-{[cyclohexyl(methyl)amino]methyl}-1,2,4-oxadiazol-3-yl)-N-methylpyridin-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

P166-2041

Molecular Formula

C23H29N5O (C23 H29 N5 O)

Compound Name

N-benzyl-5-(5-{[cyclohexyl(methyl)amino]methyl}-1,2,4-oxadiazol-3-yl)-N-methylpyridin-2-amine

IUPAC name

N-benzyl-5-(5-{[cyclohexyl(methyl)amino]methyl}-124-oxadiazol-3-yl)-N-methylpyridin-2-amine

SMILES

CN(Cc1nc(-c(cc2)cnc2N(C)Cc2ccccc2)no1)C1CCCCC1

InChI

InChI=1S/C23H29N5O/c1-27(20-11-7-4-8-12-20)17-22-25-23(26-29-22)19-13-14-21(24-15-19)28(2)16-18-9-5-3-6-10-18/h3,5-6,9-10,13-15,20H,4,7-8,11-12,16-17H2,1-2H3

InChI Key

PSSAKERRYZIUBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27567481

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.927

Distribution Coefficient, logD

3.445

Water Solubility, LogSw

-4.47

Polar Surface Area

45.925

Acid Dissociation Constant (pKa)

23.29

Base Dissociation Constant (pKb)

8.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

P166-2041 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • 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 P166-2041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P166-2041?
Check Price and Availability of P166-2041, 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 P166-2041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P166-2041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P166-2041
  • 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 P166-2041 available by request