P166-2235 Screening compound: 4-(5-{5-[(3-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl}pyridin-2-yl)thiomorpholine

P166-2235 Screening compound: 4-(5-{5-[(3-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl}pyridin-2-yl)thiomorpholine
P166-2235 Screening compound: 4-(5-{5-[(3-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl}pyridin-2-yl)thiomorpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound P166-2235
4-(5-{5-[(3-methylpiperidin-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

P166-2235

Molecular Formula

C18H25N5OS (C18 H25 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

CC1CN(Cc2nc(-c(cc3)cnc3N3CCSCC3)no2)CCC1

InChI

InChI=1S/C18H25N5OS/c1-14-3-2-6-22(12-14)13-17-20-18(21-24-17)15-4-5-16(19-11-15)23-7-9-25-10-8-23/h4-5,11,14H,2-3,6-10,12-13H2,1H3/t14-/m0/s1

InChI Key

NRAKNVGVAGNENW-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27567511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.5

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

3.316

Distribution Coefficient, logD

1.311

Water Solubility, LogSw

-3.42

Polar Surface Area

47.301

Acid Dissociation Constant (pKa)

24.57

Base Dissociation Constant (pKb)

9.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.10

P166-2235 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P166-2235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P166-2235?
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What is the minimum amount of P166-2235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P166-2235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P166-2235
  • 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 P166-2235 available by request