P920-0078 Screening compound: 3-{[2-(5-methyl-1,2,4-oxadiazol-3-yl)piperidino]methyl}benzonitrile

P920-0078 Screening compound: 3-{[2-(5-methyl-1,2,4-oxadiazol-3-yl)piperidino]methyl}benzonitrile
P920-0078 Screening compound: 3-{[2-(5-methyl-1,2,4-oxadiazol-3-yl)piperidino]methyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound P920-0078
3-{[2-(5-methyl-1,2,4-oxadiazol-3-yl)piperidino]methyl}benzonitrile

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

P920-0078

Molecular Formula

C16H18N4O (C16 H18 N4 O)

Compound Name

3-{[2-(5-methyl-1,2,4-oxadiazol-3-yl)piperidino]methyl}benzonitrile

IUPAC name

n/a

SMILES

Cc1nc(C2N(Cc3cc(C#N)ccc3)CCCC2)no1

InChI

InChI=1S/C16H18N4O/c1-12-18-16(19-21-12)15-7-2-3-8-20(15)11-14-6-4-5-13(9-14)10-17/h4-6,9,15H,2-3,7-8,11H2,1H3/t15-/m0/s1

InChI Key

SOLPAAIDRMLAHV-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD20754588

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.419

Distribution Coefficient, logD

2.418

Water Solubility, LogSw

-2.51

Polar Surface Area

51.792

Acid Dissociation Constant (pKa)

27.43

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.75

P920-0078 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P920-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P920-0078?
Check Price and Availability of P920-0078, 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 P920-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P920-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P920-0078
  • 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 P920-0078 available by request