SC04-0414 Screening compound: 4,6-dimethyl-1-(2-oxo-2-{3-[2-(5-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino}ethyl)-2(1H)-pyrimidinone

SC04-0414 Screening compound: 4,6-dimethyl-1-(2-oxo-2-{3-[2-(5-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino}ethyl)-2(1H)-pyrimidinone
SC04-0414 Screening compound: 4,6-dimethyl-1-(2-oxo-2-{3-[2-(5-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino}ethyl)-2(1H)-pyrimidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC04-0414
4,6-dimethyl-1-(2-oxo-2-{3-[2-(5-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino}ethyl)-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

SC04-0414

Molecular Formula

C22H31N5O5 (C22 H31 N5 O5)

Compound Name

4,6-dimethyl-1-(2-oxo-2-{3-[2-(5-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino}ethyl)-2(1H)-pyrimidinone

IUPAC name

46-dimethyl-1-[2-(3-{2-[5-(oxan-4-yl)-124-oxadiazol-3-yl]ethoxy}piperidin-1-yl)-2-oxoethyl]-12-dihydropyrimidin-2-one

SMILES

CC(C=C(C)N1CC(N(CCC2)CC2OCCc2noc(C3CCOCC3)n2)=O)=NC1=O

InChI

InChI=1S/C22H31N5O5/c1-15-12-16(2)27(22(29)23-15)14-20(28)26-8-3-4-18(13-26)31-11-7-19-24-21(32-25-19)17-5-9-30-10-6-17/h12,17-18H,3-11,13-14H2,1-2H3/t18-/m0/s1

InChI Key

OFROZOKAJPCJDD-SFHVURJKSA-N

MDL Number (MFCD)

MFCD32252835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.305

Distribution Coefficient, logD

1.305

Water Solubility, LogSw

-1.36

Polar Surface Area

87.186

Acid Dissociation Constant (pKa)

26.56

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.18

SC04-0414 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 SC04-0414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC04-0414?
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What is the minimum amount of SC04-0414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC04-0414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC04-0414
  • 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 SC04-0414 available by request