L453-0586 Screening compound: 3-methyl-1-[3-(methylsulfanyl)phenyl]-3-(2-{5-[4-(piperidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)urea

L453-0586 Screening compound: 3-methyl-1-[3-(methylsulfanyl)phenyl]-3-(2-{5-[4-(piperidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)urea
L453-0586 Screening compound: 3-methyl-1-[3-(methylsulfanyl)phenyl]-3-(2-{5-[4-(piperidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L453-0586
3-methyl-1-[3-(methylsulfanyl)phenyl]-3-(2-{5-[4-(piperidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)urea

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

L453-0586

Molecular Formula

C25H29N5O3S (C25 H29 N5 O3 S)

Compound Name

3-methyl-1-[3-(methylsulfanyl)phenyl]-3-(2-{5-[4-(piperidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)urea

IUPAC name

3-methyl-1-[3-(methylsulfanyl)phenyl]-3-(2-{5-[4-(piperidine-1-carbonyl)phenyl]-124-oxadiazol-3-yl}ethyl)urea

SMILES

CN(CCc1noc(-c(cc2)ccc2C(N2CCCCC2)=O)n1)C(Nc1cccc(SC)c1)=O

InChI

InChI=1S/C25H29N5O3S/c1-29(25(32)26-20-7-6-8-21(17-20)34-2)16-13-22-27-23(33-28-22)18-9-11-19(12-10-18)24(31)30-14-4-3-5-15-30/h6-12,17H,3-5,13-16H2,1-2H3,(H,26,32)

InChI Key

VHSFFFVMKBHSJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15127854

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.799

Distribution Coefficient, logD

3.799

Water Solubility, LogSw

-3.92

Polar Surface Area

74.504

Acid Dissociation Constant (pKa)

13.30

Base Dissociation Constant (pKb)

-0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

L453-0586 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L453-0586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L453-0586?
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What is the minimum amount of L453-0586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L453-0586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L453-0586
  • 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 L453-0586 available by request