SC04-0560 Screening compound: 1-(2-{3-[2-(5-isobutyl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino}-2-oxoethyl)-4,6-dimethyl-2(1H)-pyrimidinone

SC04-0560 Screening compound: 1-(2-{3-[2-(5-isobutyl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino}-2-oxoethyl)-4,6-dimethyl-2(1H)-pyrimidinone
SC04-0560 Screening compound: 1-(2-{3-[2-(5-isobutyl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino}-2-oxoethyl)-4,6-dimethyl-2(1H)-pyrimidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC04-0560
1-(2-{3-[2-(5-isobutyl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino}-2-oxoethyl)-4,6-dimethyl-2(1H)-pyrimidinone

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

SC04-0560

Molecular Formula

C21H31N5O4 (C21 H31 N5 O4)

Compound Name

1-(2-{3-[2-(5-isobutyl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino}-2-oxoethyl)-4,6-dimethyl-2(1H)-pyrimidinone

IUPAC name

46-dimethyl-1-[2-(3-{2-[5-(2-methylpropyl)-124-oxadiazol-3-yl]ethoxy}piperidin-1-yl)-2-oxoethyl]-12-dihydropyrimidin-2-one

SMILES

CC(C)Cc1nc(CCOC(CCC2)CN2C(CN(C(C)=CC(C)=N2)C2=O)=O)no1

InChI

InChI=1S/C21H31N5O4/c1-14(2)10-19-23-18(24-30-19)7-9-29-17-6-5-8-25(12-17)20(27)13-26-16(4)11-15(3)22-21(26)28/h11,14,17H,5-10,12-13H2,1-4H3/t17-/m0/s1

InChI Key

LGAQPDDKBZAUPH-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32253538

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.899

Distribution Coefficient, logD

1.899

Water Solubility, LogSw

-2.07

Polar Surface Area

79.023

Acid Dissociation Constant (pKa)

25.29

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

SC04-0560 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 SC04-0560 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC04-0560?
Check Price and Availability of SC04-0560, 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 SC04-0560 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC04-0560
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC04-0560
  • 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 SC04-0560 available by request