SC03-0554 Screening compound: 2-(5-isobutyl-1,2,4-oxadiazol-3-yl)ethyl {1-[(5-methyl-2-pyridyl)methyl]-4-piperidyl} ether

SC03-0554 Screening compound: 2-(5-isobutyl-1,2,4-oxadiazol-3-yl)ethyl {1-[(5-methyl-2-pyridyl)methyl]-4-piperidyl} ether
SC03-0554 Screening compound: 2-(5-isobutyl-1,2,4-oxadiazol-3-yl)ethyl {1-[(5-methyl-2-pyridyl)methyl]-4-piperidyl} ether alternative view

Chemical Structure Depiction of ChemDiv screening compound SC03-0554
2-(5-isobutyl-1,2,4-oxadiazol-3-yl)ethyl {1-[(5-methyl-2-pyridyl)methyl]-4-piperidyl} ether

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

SC03-0554

Molecular Formula

C20H30N4O2 (C20 H30 N4 O2)

Compound Name

2-(5-isobutyl-1,2,4-oxadiazol-3-yl)ethyl {1-[(5-methyl-2-pyridyl)methyl]-4-piperidyl} ether

IUPAC name

5-methyl-2-[(4-{2-[5-(2-methylpropyl)-124-oxadiazol-3-yl]ethoxy}piperidin-1-yl)methyl]pyridine

SMILES

CC(C)Cc1nc(CCOC2CCN(Cc3ncc(C)cc3)CC2)no1

InChI

InChI=1S/C20H30N4O2/c1-15(2)12-20-22-19(23-26-20)8-11-25-18-6-9-24(10-7-18)14-17-5-4-16(3)13-21-17/h4-5,13,15,18H,6-12,14H2,1-3H3

InChI Key

DQRKCUJJBMTKPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32251603

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.125

Distribution Coefficient, logD

2.006

Water Solubility, LogSw

-2.90

Polar Surface Area

52.869

Acid Dissociation Constant (pKa)

25.29

Base Dissociation Constant (pKb)

8.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.00

SC03-0554 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SC03-0554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC03-0554?
Check Price and Availability of SC03-0554, 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 SC03-0554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC03-0554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC03-0554
  • 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 SC03-0554 available by request