Y300-0648 Screening compound: N-{[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide

Y300-0648 Screening compound: N-{[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
Y300-0648 Screening compound: N-{[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y300-0648
N-{[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide

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

Y300-0648

Molecular Formula

C22H22ClFN4O2 (C22 H22 ClFN4 O2)

Compound Name

N-{[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide

IUPAC name

N-{[3-(2-chlorophenyl)-124-oxadiazol-5-yl]methyl}-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide

SMILES

O=C(C1CCN(Cc(cccc2)c2F)CC1)NCc1nc(-c(cccc2)c2Cl)no1

InChI

InChI=1S/C22H22ClFN4O2/c23-18-7-3-2-6-17(18)21-26-20(30-27-21)13-25-22(29)15-9-11-28(12-10-15)14-16-5-1-4-8-19(16)24/h1-8,15H,9-14H2,(H,25,29)

InChI Key

ZASSDPHHCVVYHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19027897

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.860

Distribution Coefficient, logD

1.665

Water Solubility, LogSw

-4.37

Polar Surface Area

59.727

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

9.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

Y300-0648 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with Y300-0648 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y300-0648?
Check Price and Availability of Y300-0648, 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 Y300-0648 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y300-0648
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y300-0648
  • 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 Y300-0648 available by request