L861-0123 Screening compound: 2-{[(2,5-dimethylphenyl)carbamoyl]methyl}-N-(4-methoxyphenyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

L861-0123 Screening compound: 2-{[(2,5-dimethylphenyl)carbamoyl]methyl}-N-(4-methoxyphenyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
L861-0123 Screening compound: 2-{[(2,5-dimethylphenyl)carbamoyl]methyl}-N-(4-methoxyphenyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L861-0123
2-{[(2,5-dimethylphenyl)carbamoyl]methyl}-N-(4-methoxyphenyl)-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

L861-0123

Molecular Formula

C24H23N5O4 (C24 H23 N5 O4)

Compound Name

2-{[(2,5-dimethylphenyl)carbamoyl]methyl}-N-(4-methoxyphenyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

IUPAC name

2-{[(25-dimethylphenyl)carbamoyl]methyl}-N-(4-methoxyphenyl)-3-oxo-2H3H-[124]triazolo[43-a]pyridine-6-carboxamide

SMILES

Cc1cc(NC(CN2N=C(C=CC(C(Nc(cc3)ccc3OC)=O)=C3)N3C2=O)=O)c(C)cc1

InChI

InChI=1S/C24H23N5O4/c1-15-4-5-16(2)20(12-15)26-22(30)14-29-24(32)28-13-17(6-11-21(28)27-29)23(31)25-18-7-9-19(33-3)10-8-18/h4-13H,14H2,1-3H3,(H,25,31)(H,26,30)

InChI Key

LWMWRBQZOIJJJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27481620

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

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.670

Distribution Coefficient, logD

2.664

Water Solubility, LogSw

-2.99

Polar Surface Area

85.886

Acid Dissociation Constant (pKa)

9.30

Base Dissociation Constant (pKb)

0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with L861-0123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L861-0123?
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What is the minimum amount of L861-0123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L861-0123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L861-0123
  • 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 L861-0123 available by request