L861-0132 Screening compound: 2-{[(2-fluoro-4-methylphenyl)carbamoyl]methyl}-N-(4-methoxyphenyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

L861-0132 Screening compound: 2-{[(2-fluoro-4-methylphenyl)carbamoyl]methyl}-N-(4-methoxyphenyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
L861-0132 Screening compound: 2-{[(2-fluoro-4-methylphenyl)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 L861-0132
2-{[(2-fluoro-4-methylphenyl)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

L861-0132

Molecular Formula

C23H20FN5O4 (C23 H20 FN5 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc(F)c1NC(CN1N=C(C=CC(C(Nc(cc2)ccc2OC)=O)=C2)N2C1=O)=O

InChI

InChI=1S/C23H20FN5O4/c1-14-3-9-19(18(24)11-14)26-21(30)13-29-23(32)28-12-15(4-10-20(28)27-29)22(31)25-16-5-7-17(33-2)8-6-16/h3-12H,13H2,1-2H3,(H,25,31)(H,26,30)

InChI Key

JSMIZMWREUBBOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27481624

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.44

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

2.971

Distribution Coefficient, logD

2.966

Water Solubility, LogSw

-3.38

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

13.00

References: we are preparing a list of scientific research reports with L861-0132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L861-0132?
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What is the minimum amount of L861-0132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L861-0132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L861-0132
  • 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 L861-0132 available by request