SC04-0579 Screening compound: 1-{3-[2-(5-isobutyl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino}-2-(1-methyl-4-piperidyl)-1-ethanone

SC04-0579 Screening compound: 1-{3-[2-(5-isobutyl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino}-2-(1-methyl-4-piperidyl)-1-ethanone
SC04-0579 Screening compound: 1-{3-[2-(5-isobutyl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino}-2-(1-methyl-4-piperidyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC04-0579
1-{3-[2-(5-isobutyl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino}-2-(1-methyl-4-piperidyl)-1-ethanone

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

SC04-0579

Molecular Formula

C21H36N4O3 (C21 H36 N4 O3)

Compound Name

1-{3-[2-(5-isobutyl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino}-2-(1-methyl-4-piperidyl)-1-ethanone

IUPAC name

2-(1-methylpiperidin-4-yl)-1-(3-{2-[5-(2-methylpropyl)-124-oxadiazol-3-yl]ethoxy}piperidin-1-yl)ethan-1-one

SMILES

CC(C)Cc1nc(CCOC(CCC2)CN2C(CC2CCN(C)CC2)=O)no1

InChI

InChI=1S/C21H36N4O3/c1-16(2)13-20-22-19(23-28-20)8-12-27-18-5-4-9-25(15-18)21(26)14-17-6-10-24(3)11-7-17/h16-18H,4-15H2,1-3H3/t18-/m0/s1

InChI Key

HOBQHABBTTZBOJ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD32253602

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.225

Distribution Coefficient, logD

0.316

Water Solubility, LogSw

-2.13

Polar Surface Area

59.227

Acid Dissociation Constant (pKa)

24.23

Base Dissociation Constant (pKb)

9.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

85.71

SC04-0579 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC04-0579 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC04-0579?
Check Price and Availability of SC04-0579, 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 SC04-0579 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC04-0579
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC04-0579
  • 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 SC04-0579 available by request