P166-2229 Screening compound: N-methyl-N-({3-[6-(thiomorpholin-4-yl)pyridin-3-yl]-1,2,4-oxadiazol-5-yl}methyl)cyclohexanamine

P166-2229 Screening compound: N-methyl-N-({3-[6-(thiomorpholin-4-yl)pyridin-3-yl]-1,2,4-oxadiazol-5-yl}methyl)cyclohexanamine
P166-2229 Screening compound: N-methyl-N-({3-[6-(thiomorpholin-4-yl)pyridin-3-yl]-1,2,4-oxadiazol-5-yl}methyl)cyclohexanamine alternative view

Chemical Structure Depiction of ChemDiv screening compound P166-2229
N-methyl-N-({3-[6-(thiomorpholin-4-yl)pyridin-3-yl]-1,2,4-oxadiazol-5-yl}methyl)cyclohexanamine

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

P166-2229

Molecular Formula

C19H27N5OS (C19 H27 N5 OS)

Compound Name

N-methyl-N-({3-[6-(thiomorpholin-4-yl)pyridin-3-yl]-1,2,4-oxadiazol-5-yl}methyl)cyclohexanamine

IUPAC name

N-methyl-N-({3-[6-(thiomorpholin-4-yl)pyridin-3-yl]-124-oxadiazol-5-yl}methyl)cyclohexanamine

SMILES

CN(Cc1nc(-c(cc2)cnc2N2CCSCC2)no1)C1CCCCC1

InChI

InChI=1S/C19H27N5OS/c1-23(16-5-3-2-4-6-16)14-18-21-19(22-25-18)15-7-8-17(20-13-15)24-9-11-26-12-10-24/h7-8,13,16H,2-6,9-12,14H2,1H3

InChI Key

YEAHVTPBUJUWOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27567507

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.915

Distribution Coefficient, logD

1.911

Water Solubility, LogSw

-3.72

Polar Surface Area

46.423

Acid Dissociation Constant (pKa)

24.57

Base Dissociation Constant (pKb)

9.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.20

P166-2229 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)

SmartTM Library (51161 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 P166-2229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P166-2229?
Check Price and Availability of P166-2229, 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 P166-2229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P166-2229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P166-2229
  • 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 P166-2229 available by request