L860-0257 Screening compound: 3-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)-N-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

L860-0257 Screening compound: 3-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)-N-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
L860-0257 Screening compound: 3-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)-N-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L860-0257
3-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)-N-(3-fluorophenyl)-[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

L860-0257

Molecular Formula

C22H16FN5O4S (C22 H16 FN5 O4 S)

Compound Name

3-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)-N-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

IUPAC name

3-({[(2H-13-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)-N-(3-fluorophenyl)-[124]triazolo[43-a]pyridine-6-carboxamide

SMILES

O=C(CSc1nnc(cc2)n1cc2C(Nc1cc(F)ccc1)=O)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C22H16FN5O4S/c23-14-2-1-3-15(8-14)25-21(30)13-4-7-19-26-27-22(28(19)10-13)33-11-20(29)24-16-5-6-17-18(9-16)32-12-31-17/h1-10H,11-12H2,(H,24,29)(H,25,30)

InChI Key

XXRQRGYIGRDAIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16640517

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.46

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

3.346

Distribution Coefficient, logD

3.346

Water Solubility, LogSw

-3.52

Polar Surface Area

85.408

Acid Dissociation Constant (pKa)

10.17

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

L860-0257 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

PD-1/L1 Library (498 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L860-0257 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L860-0257?
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What is the minimum amount of L860-0257 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L860-0257
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L860-0257
  • 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 L860-0257 available by request