L861-0276 Screening compound: 2-{[(2-fluoro-4-methylphenyl)carbamoyl]methyl}-N-(3-methylphenyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

L861-0276 Screening compound: 2-{[(2-fluoro-4-methylphenyl)carbamoyl]methyl}-N-(3-methylphenyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
L861-0276 Screening compound: 2-{[(2-fluoro-4-methylphenyl)carbamoyl]methyl}-N-(3-methylphenyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L861-0276
2-{[(2-fluoro-4-methylphenyl)carbamoyl]methyl}-N-(3-methylphenyl)-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

L861-0276

Molecular Formula

C23H20FN5O3 (C23 H20 FN5 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(NC(C(C=CC2=NN3CC(Nc(ccc(C)c4)c4F)=O)=CN2C3=O)=O)c1

InChI

InChI=1S/C23H20FN5O3/c1-14-4-3-5-17(10-14)25-22(31)16-7-9-20-27-29(23(32)28(20)12-16)13-21(30)26-19-8-6-15(2)11-18(19)24/h3-12H,13H2,1-2H3,(H,25,31)(H,26,30)

InChI Key

JHZOQVWTLFMXMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27481630

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

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.349

Distribution Coefficient, logD

3.347

Water Solubility, LogSw

-3.49

Polar Surface Area

78.342

Acid Dissociation Constant (pKa)

9.80

Base Dissociation Constant (pKb)

0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

L861-0276 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with L861-0276 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L861-0276?
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What is the minimum amount of L861-0276 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L861-0276
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L861-0276
  • 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 L861-0276 available by request