L861-0675 Screening compound: 2-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-N-[(4-methylphenyl)methyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

L861-0675 Screening compound: 2-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-N-[(4-methylphenyl)methyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
L861-0675 Screening compound: 2-({[2-(cyclohex-1-en-1-yl)ethyl]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 L861-0675
2-({[2-(cyclohex-1-en-1-yl)ethyl]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

L861-0675

Molecular Formula

C25H29N5O3 (C25 H29 N5 O3)

Compound Name

2-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-N-[(4-methylphenyl)methyl]-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-[(4-methylphenyl)methyl]-3-oxo-2H3H-[124]triazolo[43-a]pyridine-6-carboxamide

SMILES

Cc1ccc(CNC(C(C=CC2=NN3CC(NCCC4=CCCCC4)=O)=CN2C3=O)=O)cc1

InChI

InChI=1S/C25H29N5O3/c1-18-7-9-20(10-8-18)15-27-24(32)21-11-12-22-28-30(25(33)29(22)16-21)17-23(31)26-14-13-19-5-3-2-4-6-19/h5,7-12,16H,2-4,6,13-15,17H2,1H3,(H,26,31)(H,27,32)

InChI Key

FTLLOWWIYGLZIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27481759

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.455

Distribution Coefficient, logD

2.454

Water Solubility, LogSw

-2.77

Polar Surface Area

81.718

Acid Dissociation Constant (pKa)

10.11

Base Dissociation Constant (pKb)

0.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

L861-0675 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 L861-0675 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L861-0675?
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What is the minimum amount of L861-0675 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L861-0675
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L861-0675
  • 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 L861-0675 available by request