L861-0540 Screening compound: N-benzyl-2-{[(2,3-dihydro-1H-inden-5-yl)carbamoyl]methyl}-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

L861-0540 Screening compound: N-benzyl-2-{[(2,3-dihydro-1H-inden-5-yl)carbamoyl]methyl}-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
L861-0540 Screening compound: N-benzyl-2-{[(2,3-dihydro-1H-inden-5-yl)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 L861-0540
N-benzyl-2-{[(2,3-dihydro-1H-inden-5-yl)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

L861-0540

Molecular Formula

C25H23N5O3 (C25 H23 N5 O3)

Compound Name

N-benzyl-2-{[(2,3-dihydro-1H-inden-5-yl)carbamoyl]methyl}-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

IUPAC name

N-benzyl-2-{[(23-dihydro-1H-inden-5-yl)carbamoyl]methyl}-3-oxo-2H3H-[124]triazolo[43-a]pyridine-6-carboxamide

SMILES

O=C(CN1N=C(C=CC(C(NCc2ccccc2)=O)=C2)N2C1=O)Nc1cc(CCC2)c2cc1

InChI

InChI=1S/C25H23N5O3/c31-23(27-21-11-9-18-7-4-8-19(18)13-21)16-30-25(33)29-15-20(10-12-22(29)28-30)24(32)26-14-17-5-2-1-3-6-17/h1-3,5-6,9-13,15H,4,7-8,14,16H2,(H,26,32)(H,27,31)

InChI Key

NFVTWPBUEYEGCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27481700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.49

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

3.121

Distribution Coefficient, logD

3.120

Water Solubility, LogSw

-3.32

Polar Surface Area

80.649

Acid Dissociation Constant (pKa)

10.11

Base Dissociation Constant (pKb)

3.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

L861-0540 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L861-0540 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L861-0540?
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What is the minimum amount of L861-0540 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L861-0540
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L861-0540
  • 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 L861-0540 available by request