L453-0141 Screening compound: 4-[3-(2-{[(4-chlorophenyl)carbamoyl](methyl)amino}ethyl)-1,2,4-oxadiazol-5-yl]-N-[(oxolan-2-yl)methyl]benzamide

L453-0141 Screening compound: 4-[3-(2-{[(4-chlorophenyl)carbamoyl](methyl)amino}ethyl)-1,2,4-oxadiazol-5-yl]-N-[(oxolan-2-yl)methyl]benzamide
L453-0141 Screening compound: 4-[3-(2-{[(4-chlorophenyl)carbamoyl](methyl)amino}ethyl)-1,2,4-oxadiazol-5-yl]-N-[(oxolan-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L453-0141
4-[3-(2-{[(4-chlorophenyl)carbamoyl](methyl)amino}ethyl)-1,2,4-oxadiazol-5-yl]-N-[(oxolan-2-yl)methyl]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

L453-0141

Molecular Formula

C24H26ClN5O4 (C24 H26 ClN5 O4)

Compound Name

4-[3-(2-{[(4-chlorophenyl)carbamoyl](methyl)amino}ethyl)-1,2,4-oxadiazol-5-yl]-N-[(oxolan-2-yl)methyl]benzamide

IUPAC name

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

SMILES

CN(CCc1noc(-c(cc2)ccc2C(NCC2OCCC2)=O)n1)C(Nc(cc1)ccc1Cl)=O

InChI

InChI=1S/C24H26ClN5O4/c1-30(24(32)27-19-10-8-18(25)9-11-19)13-12-21-28-23(34-29-21)17-6-4-16(5-7-17)22(31)26-15-20-3-2-14-33-20/h4-11,20H,2-3,12-15H2,1H3,(H,26,31)(H,27,32)/t20-/m1/s1

InChI Key

XBSVTXRLABHNQC-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD27253099

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.95

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.068

Distribution Coefficient, logD

3.068

Water Solubility, LogSw

-3.87

Polar Surface Area

90.924

Acid Dissociation Constant (pKa)

11.69

Base Dissociation Constant (pKb)

-0.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

L453-0141 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 L453-0141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L453-0141?
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What is the minimum amount of L453-0141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L453-0141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L453-0141
  • 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 L453-0141 available by request