L453-0158 Screening compound: 4-[3-(2-{[(4-CHLOROPHENYL)CARBAMOYL](METHYL)AMINO}ETHYL)-1,2,4-OXADIAZOL-5-YL]-N-[2-(FURAN-2-YL)ETHYL]BENZAMIDE

L453-0158 Screening compound: 4-[3-(2-{[(4-CHLOROPHENYL)CARBAMOYL](METHYL)AMINO}ETHYL)-1,2,4-OXADIAZOL-5-YL]-N-[2-(FURAN-2-YL)ETHYL]BENZAMIDE
L453-0158 Screening compound: 4-[3-(2-{[(4-CHLOROPHENYL)CARBAMOYL](METHYL)AMINO}ETHYL)-1,2,4-OXADIAZOL-5-YL]-N-[2-(FURAN-2-YL)ETHYL]BENZAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound L453-0158
4-[3-(2-{[(4-CHLOROPHENYL)CARBAMOYL](METHYL)AMINO}ETHYL)-1,2,4-OXADIAZOL-5-YL]-N-[2-(FURAN-2-YL)ETHYL]BENZAMIDE

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

L453-0158

Molecular Formula

C25H24ClN5O4 (C25 H24 ClN5 O4)

Compound Name

4-[3-(2-{[(4-CHLOROPHENYL)CARBAMOYL](METHYL)AMINO}ETHYL)-1,2,4-OXADIAZOL-5-YL]-N-[2-(FURAN-2-YL)ETHYL]BENZAMIDE

IUPAC name

4-[3-(2-{[(4-chlorophenyl)carbamoyl](methyl)amino}ethyl)-124-oxadiazol-5-yl]-N-[2-(furan-2-yl)ethyl]benzamide

SMILES

CN(CCc1noc(-c(cc2)ccc2C(NCCc2ccco2)=O)n1)C(Nc(cc1)ccc1Cl)=O

InChI

InChI=1S/C25H24ClN5O4/c1-31(25(33)28-20-10-8-19(26)9-11-20)15-13-22-29-24(35-30-22)18-6-4-17(5-7-18)23(32)27-14-12-21-3-2-16-34-21/h2-11,16H,12-15H2,1H3,(H,27,32)(H,28,33)

InChI Key

CPAQYOVTBCLFRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15127828

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.95

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.013

Distribution Coefficient, logD

4.013

Water Solubility, LogSw

-4.59

Polar Surface Area

89.860

Acid Dissociation Constant (pKa)

11.69

Base Dissociation Constant (pKb)

-0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

L453-0158 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with L453-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L453-0158?
Check Price and Availability of L453-0158, 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 L453-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L453-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L453-0158
  • 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 L453-0158 available by request