P166-2048 Screening compound: N-benzyl-N-methyl-5-{5-[(3-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl}pyridin-2-amine

P166-2048 Screening compound: N-benzyl-N-methyl-5-{5-[(3-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl}pyridin-2-amine
P166-2048 Screening compound: N-benzyl-N-methyl-5-{5-[(3-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl}pyridin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound P166-2048
N-benzyl-N-methyl-5-{5-[(3-methylpiperidin-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

P166-2048

Molecular Formula

C22H27N5O (C22 H27 N5 O)

Compound Name

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

IUPAC name

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

SMILES

CC1CN(Cc2nc(-c(cc3)cnc3N(C)Cc3ccccc3)no2)CCC1

InChI

InChI=1S/C22H27N5O/c1-17-7-6-12-27(14-17)16-21-24-22(25-28-21)19-10-11-20(23-13-19)26(2)15-18-8-4-3-5-9-18/h3-5,8-11,13,17H,6-7,12,14-16H2,1-2H3/t17-/m0/s1

InChI Key

VPOYVIBWIBQAFE-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27567484

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.49

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

4.328

Distribution Coefficient, logD

2.846

Water Solubility, LogSw

-4.01

Polar Surface Area

46.803

Acid Dissociation Constant (pKa)

23.29

Base Dissociation Constant (pKb)

8.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

P166-2048 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P166-2048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P166-2048?
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What is the minimum amount of P166-2048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P166-2048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P166-2048
  • 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 P166-2048 available by request