L861-0640 Screening compound: 2-({[(4-methoxyphenyl)methyl]carbamoyl}methyl)-N-[(4-methylphenyl)methyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

L861-0640 Screening compound: 2-({[(4-methoxyphenyl)methyl]carbamoyl}methyl)-N-[(4-methylphenyl)methyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
L861-0640 Screening compound: 2-({[(4-methoxyphenyl)methyl]carbamoyl}methyl)-N-[(4-methylphenyl)methyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L861-0640
2-({[(4-methoxyphenyl)methyl]carbamoyl}methyl)-N-[(4-methylphenyl)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

L861-0640

Molecular Formula

C25H25N5O4 (C25 H25 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CNC(C(C=CC2=NN3CC(NCc(cc4)ccc4OC)=O)=CN2C3=O)=O)cc1

InChI

InChI=1S/C25H25N5O4/c1-17-3-5-18(6-4-17)14-27-24(32)20-9-12-22-28-30(25(33)29(22)15-20)16-23(31)26-13-19-7-10-21(34-2)11-8-19/h3-12,15H,13-14,16H2,1-2H3,(H,26,31)(H,27,32)

InChI Key

VIVJMIOFHAEMGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27481745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.5

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

2.292

Distribution Coefficient, logD

2.291

Water Solubility, LogSw

-2.72

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

20.00

L861-0640 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 L861-0640 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L861-0640?
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What is the minimum amount of L861-0640 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L861-0640
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L861-0640
  • 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 L861-0640 available by request