L861-0515 Screening compound: N-benzyl-2-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

L861-0515 Screening compound: N-benzyl-2-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
L861-0515 Screening compound: N-benzyl-2-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L861-0515
N-benzyl-2-({[(4-fluorophenyl)methyl]carbamoyl}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

L861-0515

Molecular Formula

C23H20FN5O3 (C23 H20 FN5 O3)

Compound Name

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

IUPAC name

N-benzyl-2-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-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)ccc1F

InChI

InChI=1S/C23H20FN5O3/c24-19-9-6-17(7-10-19)12-25-21(30)15-29-23(32)28-14-18(8-11-20(28)27-29)22(31)26-13-16-4-2-1-3-5-16/h1-11,14H,12-13,15H2,(H,25,30)(H,26,31)

InChI Key

NWBVBOPVZYDYRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27481688

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.915

Distribution Coefficient, logD

1.914

Water Solubility, LogSw

-2.32

Polar Surface Area

81.684

Acid Dissociation Constant (pKa)

10.11

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

L861-0515 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 L861-0515 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L861-0515?
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What is the minimum amount of L861-0515 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L861-0515
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L861-0515
  • 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 L861-0515 available by request