L861-0652 Screening compound: 2-({[(furan-2-yl)methyl]carbamoyl}methyl)-N-[(4-methylphenyl)methyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

L861-0652 Screening compound: 2-({[(furan-2-yl)methyl]carbamoyl}methyl)-N-[(4-methylphenyl)methyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
L861-0652 Screening compound: 2-({[(furan-2-yl)methyl]carbamoyl}methyl)-N-[(4-methylphenyl)methyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L861-0652
2-({[(furan-2-yl)methyl]carbamoyl}methyl)-N-[(4-methylphenyl)methyl]-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

L861-0652

Molecular Formula

C22H21N5O4 (C22 H21 N5 O4)

Compound Name

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

IUPAC name

2-({[(furan-2-yl)methyl]carbamoyl}methyl)-N-[(4-methylphenyl)methyl]-3-oxo-2H3H-[124]triazolo[43-a]pyridine-6-carboxamide

SMILES

Cc1ccc(CNC(C(C=CC2=NN3CC(NCc4ccco4)=O)=CN2C3=O)=O)cc1

InChI

InChI=1S/C22H21N5O4/c1-15-4-6-16(7-5-15)11-24-21(29)17-8-9-19-25-27(22(30)26(19)13-17)14-20(28)23-12-18-3-2-10-31-18/h2-10,13H,11-12,14H2,1H3,(H,23,28)(H,24,29)

InChI Key

CGEKJXQKDUQHMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27481751

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.060

Distribution Coefficient, logD

2.059

Water Solubility, LogSw

-2.56

Polar Surface Area

89.433

Acid Dissociation Constant (pKa)

10.11

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

L861-0652 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 L861-0652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L861-0652?
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What is the minimum amount of L861-0652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L861-0652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L861-0652
  • 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 L861-0652 available by request