L453-0686 Screening compound: 1-(3-chloro-4-fluorophenyl)-3-methyl-3-(2-{5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)urea

L453-0686 Screening compound: 1-(3-chloro-4-fluorophenyl)-3-methyl-3-(2-{5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)urea
L453-0686 Screening compound: 1-(3-chloro-4-fluorophenyl)-3-methyl-3-(2-{5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L453-0686
1-(3-chloro-4-fluorophenyl)-3-methyl-3-(2-{5-[4-(morpholine-4-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

L453-0686

Molecular Formula

C23H23ClFN5O4 (C23 H23 ClFN5 O4)

Compound Name

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

IUPAC name

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

SMILES

CN(CCc1noc(-c(cc2)ccc2C(N2CCOCC2)=O)n1)C(Nc(cc1)cc(Cl)c1F)=O

InChI

InChI=1S/C23H23ClFN5O4/c1-29(23(32)26-17-6-7-19(25)18(24)14-17)9-8-20-27-21(34-28-20)15-2-4-16(5-3-15)22(31)30-10-12-33-13-11-30/h2-7,14H,8-13H2,1H3,(H,26,32)

InChI Key

FXCFMOXVVGBCSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27253268

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.92

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.909

Distribution Coefficient, logD

2.908

Water Solubility, LogSw

-3.71

Polar Surface Area

82.413

Acid Dissociation Constant (pKa)

9.81

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

L453-0686 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L453-0686 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L453-0686?
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What is the minimum amount of L453-0686 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L453-0686
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L453-0686
  • 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 L453-0686 available by request