L861-0463 Screening compound: N-benzyl-2-{[(2-methylphenyl)carbamoyl]methyl}-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

L861-0463 Screening compound: N-benzyl-2-{[(2-methylphenyl)carbamoyl]methyl}-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
L861-0463 Screening compound: N-benzyl-2-{[(2-methylphenyl)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 L861-0463
N-benzyl-2-{[(2-methylphenyl)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

L861-0463

Molecular Formula

C23H21N5O3 (C23 H21 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1NC(CN1N=C(C=CC(C(NCc2ccccc2)=O)=C2)N2C1=O)=O

InChI

InChI=1S/C23H21N5O3/c1-16-7-5-6-10-19(16)25-21(29)15-28-23(31)27-14-18(11-12-20(27)26-28)22(30)24-13-17-8-3-2-4-9-17/h2-12,14H,13,15H2,1H3,(H,24,30)(H,25,29)

InChI Key

BTHODLXTWBKZPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27481655

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.103

Distribution Coefficient, logD

2.102

Water Solubility, LogSw

-2.61

Polar Surface Area

79.664

Acid Dissociation Constant (pKa)

10.11

Base Dissociation Constant (pKb)

0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

L861-0463 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with L861-0463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L861-0463?
Check Price and Availability of L861-0463, 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 L861-0463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L861-0463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L861-0463
  • 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 L861-0463 available by request