L861-0243 Screening compound: 2-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-N-(3-methylphenyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

L861-0243 Screening compound: 2-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-N-(3-methylphenyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
L861-0243 Screening compound: 2-({[2-(cyclohex-1-en-1-yl)ethyl]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 L861-0243
2-({[2-(cyclohex-1-en-1-yl)ethyl]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

L861-0243

Molecular Formula

C24H27N5O3 (C24 H27 N5 O3)

Compound Name

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

IUPAC name

2-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-N-(3-methylphenyl)-3-oxo-2H3H-[124]triazolo[43-a]pyridine-6-carboxamide

SMILES

Cc1cccc(NC(C(C=CC2=NN3CC(NCCC4=CCCCC4)=O)=CN2C3=O)=O)c1

InChI

InChI=1S/C24H27N5O3/c1-17-6-5-9-20(14-17)26-23(31)19-10-11-21-27-29(24(32)28(21)15-19)16-22(30)25-13-12-18-7-3-2-4-8-18/h5-7,9-11,14-15H,2-4,8,12-13,16H2,1H3,(H,25,30)(H,26,31)

InChI Key

RYTRUNFMGQUVLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27481627

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.51

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

2.729

Distribution Coefficient, logD

2.727

Water Solubility, LogSw

-3.03

Polar Surface Area

80.396

Acid Dissociation Constant (pKa)

9.80

Base Dissociation Constant (pKb)

0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

L861-0243 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 L861-0243 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L861-0243?
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What is the minimum amount of L861-0243 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L861-0243
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L861-0243
  • 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 L861-0243 available by request