L861-0502 Screening compound: 2-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)-N-benzyl-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

L861-0502 Screening compound: 2-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)-N-benzyl-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
L861-0502 Screening compound: 2-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)-N-benzyl-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L861-0502
2-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)-N-benzyl-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

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

L861-0502

Molecular Formula

C24H21N5O5 (C24 H21 N5 O5)

Compound Name

2-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)-N-benzyl-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

IUPAC name

2-({[(2H-13-benzodioxol-5-yl)methyl]carbamoyl}methyl)-N-benzyl-3-oxo-2H3H-[124]triazolo[43-a]pyridine-6-carboxamide

SMILES

O=C(CN1N=C(C=CC(C(NCc2ccccc2)=O)=C2)N2C1=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C24H21N5O5/c30-22(25-12-17-6-8-19-20(10-17)34-15-33-19)14-29-24(32)28-13-18(7-9-21(28)27-29)23(31)26-11-16-4-2-1-3-5-16/h1-10,13H,11-12,14-15H2,(H,25,30)(H,26,31)

InChI Key

VROGOEFYJPWRJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27481682

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.799

Distribution Coefficient, logD

1.798

Water Solubility, LogSw

-2.39

Polar Surface Area

98.800

Acid Dissociation Constant (pKa)

10.11

Base Dissociation Constant (pKb)

-0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

L861-0502 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 L861-0502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L861-0502?
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What is the minimum amount of L861-0502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L861-0502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L861-0502
  • 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 L861-0502 available by request