L861-0553 Screening compound: N-benzyl-2-{[(4-methanesulfonylphenyl)carbamoyl]methyl}-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

L861-0553 Screening compound: N-benzyl-2-{[(4-methanesulfonylphenyl)carbamoyl]methyl}-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
L861-0553 Screening compound: N-benzyl-2-{[(4-methanesulfonylphenyl)carbamoyl]methyl}-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L861-0553
N-benzyl-2-{[(4-methanesulfonylphenyl)carbamoyl]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

L861-0553

Molecular Formula

C23H21N5O5S (C23 H21 N5 O5 S)

Compound Name

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

IUPAC name

N-benzyl-2-{[(4-methanesulfonylphenyl)carbamoyl]methyl}-3-oxo-2H3H-[124]triazolo[43-a]pyridine-6-carboxamide

SMILES

CS(c(cc1)ccc1NC(CN1N=C(C=CC(C(NCc2ccccc2)=O)=C2)N2C1=O)=O)(=O)=O

InChI

InChI=1S/C23H21N5O5S/c1-34(32,33)19-10-8-18(9-11-19)25-21(29)15-28-23(31)27-14-17(7-12-20(27)26-28)22(30)24-13-16-5-3-2-4-6-16/h2-12,14H,13,15H2,1H3,(H,24,30)(H,25,29)

InChI Key

TZDBILZDZSOMPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27481705

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.125

Distribution Coefficient, logD

1.124

Water Solubility, LogSw

-2.38

Polar Surface Area

110.111

Acid Dissociation Constant (pKa)

10.11

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

L861-0553 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 L861-0553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L861-0553?
Check Price and Availability of L861-0553, 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 L861-0553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L861-0553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L861-0553
  • 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 L861-0553 available by request