L861-0496 Screening compound: N-benzyl-2-({[(4-methoxyphenyl)methyl]carbamoyl}methyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

L861-0496 Screening compound: N-benzyl-2-({[(4-methoxyphenyl)methyl]carbamoyl}methyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
L861-0496 Screening compound: N-benzyl-2-({[(4-methoxyphenyl)methyl]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 L861-0496
N-benzyl-2-({[(4-methoxyphenyl)methyl]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

L861-0496

Molecular Formula

C24H23N5O4 (C24 H23 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(CNC(CN2N=C(C=CC(C(NCc3ccccc3)=O)=C3)N3C2=O)=O)cc1

InChI

InChI=1S/C24H23N5O4/c1-33-20-10-7-18(8-11-20)13-25-22(30)16-29-24(32)28-15-19(9-12-21(28)27-29)23(31)26-14-17-5-3-2-4-6-17/h2-12,15H,13-14,16H2,1H3,(H,25,30)(H,26,31)

InChI Key

YUNTWGQLJNHBAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27481677

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.868

Distribution Coefficient, logD

1.867

Water Solubility, LogSw

-2.36

Polar Surface Area

89.228

Acid Dissociation Constant (pKa)

10.11

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with L861-0496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L861-0496?
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What is the minimum amount of L861-0496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L861-0496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L861-0496
  • 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 L861-0496 available by request