L860-0129 Screening compound: 3-({[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}sulfanyl)-N-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

L860-0129 Screening compound: 3-({[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}sulfanyl)-N-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
L860-0129 Screening compound: 3-({[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}sulfanyl)-N-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L860-0129
3-({[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}sulfanyl)-N-(3-methylphenyl)-[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

L860-0129

Molecular Formula

C24H21N5O4S (C24 H21 N5 O4 S)

Compound Name

3-({[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}sulfanyl)-N-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

IUPAC name

3-({[(23-dihydro-14-benzodioxin-6-yl)carbamoyl]methyl}sulfanyl)-N-(3-methylphenyl)-[124]triazolo[43-a]pyridine-6-carboxamide

SMILES

Cc1cccc(NC(c2cn3c(SCC(Nc(cc4)cc5c4OCCO5)=O)nnc3cc2)=O)c1

InChI

InChI=1S/C24H21N5O4S/c1-15-3-2-4-17(11-15)26-23(31)16-5-8-21-27-28-24(29(21)13-16)34-14-22(30)25-18-6-7-19-20(12-18)33-10-9-32-19/h2-8,11-13H,9-10,14H2,1H3,(H,25,30)(H,26,31)

InChI Key

NILMBYLUIYMDMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27481456

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.692

Distribution Coefficient, logD

2.692

Water Solubility, LogSw

-2.90

Polar Surface Area

84.116

Acid Dissociation Constant (pKa)

11.52

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

L860-0129 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L860-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L860-0129?
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What is the minimum amount of L860-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L860-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L860-0129
  • 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 L860-0129 available by request