L453-0149 Screening compound: 4-[3-(2-{[(4-chlorophenyl)carbamoyl](methyl)amino}ethyl)-1,2,4-oxadiazol-5-yl]-N-[(5-methylfuran-2-yl)methyl]benzamide

L453-0149 Screening compound: 4-[3-(2-{[(4-chlorophenyl)carbamoyl](methyl)amino}ethyl)-1,2,4-oxadiazol-5-yl]-N-[(5-methylfuran-2-yl)methyl]benzamide
L453-0149 Screening compound: 4-[3-(2-{[(4-chlorophenyl)carbamoyl](methyl)amino}ethyl)-1,2,4-oxadiazol-5-yl]-N-[(5-methylfuran-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L453-0149
4-[3-(2-{[(4-chlorophenyl)carbamoyl](methyl)amino}ethyl)-1,2,4-oxadiazol-5-yl]-N-[(5-methylfuran-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

L453-0149

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-[(5-methylfuran-2-yl)methyl]benzamide

IUPAC name

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

SMILES

Cc1ccc(CNC(c(cc2)ccc2-c2nc(CCN(C)C(Nc(cc3)ccc3Cl)=O)no2)=O)o1

InChI

InChI=1S/C25H24ClN5O4/c1-16-3-12-21(34-16)15-27-23(32)17-4-6-18(7-5-17)24-29-22(30-35-24)13-14-31(2)25(33)28-20-10-8-19(26)9-11-20/h3-12H,13-15H2,1-2H3,(H,27,32)(H,28,33)

InChI Key

JMCVSGVZGJOAAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15127827

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

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.575

Distribution Coefficient, logD

4.575

Water Solubility, LogSw

-4.71

Polar Surface Area

89.532

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

-0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

L453-0149 in Drug Discovery

Included in Screening Libraries

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 L453-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L453-0149?
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What is the minimum amount of L453-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L453-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L453-0149
  • 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 L453-0149 available by request