L453-0668 Screening compound: 1-(4-fluorophenyl)-3-methyl-3-(2-{5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)urea

L453-0668 Screening compound: 1-(4-fluorophenyl)-3-methyl-3-(2-{5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)urea
L453-0668 Screening compound: 1-(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 L453-0668
1-(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

L453-0668

Molecular Formula

C23H24FN5O4 (C23 H24 FN5 O4)

Compound Name

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

IUPAC name

1-(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)ccc1F)=O

InChI

InChI=1S/C23H24FN5O4/c1-28(23(31)25-19-8-6-18(24)7-9-19)11-10-20-26-21(33-27-20)16-2-4-17(5-3-16)22(30)29-12-14-32-15-13-29/h2-9H,10-15H2,1H3,(H,25,31)

InChI Key

IHHYRKAIYZXJJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27253257

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.47

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

2.208

Distribution Coefficient, logD

2.208

Water Solubility, LogSw

-2.83

Polar Surface Area

82.413

Acid Dissociation Constant (pKa)

11.69

Base Dissociation Constant (pKb)

-0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

L453-0668 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Antibacterial Compounds Library (13827 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
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L453-0668 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L453-0668?
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What is the minimum amount of L453-0668 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L453-0668
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L453-0668
  • 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 L453-0668 available by request