L861-0495 Screening compound: N-benzyl-2-[(benzylcarbamoyl)methyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

L861-0495 Screening compound: N-benzyl-2-[(benzylcarbamoyl)methyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
L861-0495 Screening compound: N-benzyl-2-[(benzylcarbamoyl)methyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L861-0495
N-benzyl-2-[(benzylcarbamoyl)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

L861-0495

Molecular Formula

C23H21N5O3 (C23 H21 N5 O3)

Compound Name

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

IUPAC name

N-benzyl-2-[(benzylcarbamoyl)methyl]-3-oxo-2H3H-[124]triazolo[43-a]pyridine-6-carboxamide

SMILES

O=C(CN1N=C(C=CC(C(NCc2ccccc2)=O)=C2)N2C1=O)NCc1ccccc1

InChI

InChI=1S/C23H21N5O3/c29-21(24-13-17-7-3-1-4-8-17)16-28-23(31)27-15-19(11-12-20(27)26-28)22(30)25-14-18-9-5-2-6-10-18/h1-12,15H,13-14,16H2,(H,24,29)(H,25,30)

InChI Key

WOFPCVQJZHVTFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27481676

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

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.886

Distribution Coefficient, logD

1.885

Water Solubility, LogSw

-2.33

Polar Surface Area

81.684

Acid Dissociation Constant (pKa)

10.11

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

References: we are preparing a list of scientific research reports with L861-0495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L861-0495?
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What is the minimum amount of L861-0495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L861-0495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L861-0495
  • 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 L861-0495 available by request