L860-0391 Screening compound: 3-({[(3-acetylphenyl)carbamoyl]methyl}sulfanyl)-N-benzyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

L860-0391 Screening compound: 3-({[(3-acetylphenyl)carbamoyl]methyl}sulfanyl)-N-benzyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
L860-0391 Screening compound: 3-({[(3-acetylphenyl)carbamoyl]methyl}sulfanyl)-N-benzyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L860-0391
3-({[(3-acetylphenyl)carbamoyl]methyl}sulfanyl)-N-benzyl-[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

L860-0391

Molecular Formula

C24H21N5O3S (C24 H21 N5 O3 S)

Compound Name

3-({[(3-acetylphenyl)carbamoyl]methyl}sulfanyl)-N-benzyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

IUPAC name

3-({[(3-acetylphenyl)carbamoyl]methyl}sulfanyl)-N-benzyl-[124]triazolo[43-a]pyridine-6-carboxamide

SMILES

CC(c1cccc(NC(CSc2nnc(cc3)n2cc3C(NCc2ccccc2)=O)=O)c1)=O

InChI

InChI=1S/C24H21N5O3S/c1-16(30)18-8-5-9-20(12-18)26-22(31)15-33-24-28-27-21-11-10-19(14-29(21)24)23(32)25-13-17-6-3-2-4-7-17/h2-12,14H,13,15H2,1H3,(H,25,32)(H,26,31)

InChI Key

GPJAXLIWBJBDGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15135235

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.767

Distribution Coefficient, logD

2.767

Water Solubility, LogSw

-3.24

Polar Surface Area

83.441

Acid Dissociation Constant (pKa)

11.11

Base Dissociation Constant (pKb)

-0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

L860-0391 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Immunological Library (6760 compounds)

PD-1/L1 Library (498 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Cancer
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with L860-0391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L860-0391?
Check Price and Availability of L860-0391, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L860-0391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L860-0391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L860-0391
  • 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 L860-0391 available by request