L861-0558 Screening compound: N-benzyl-2-{[(3,5-difluorophenyl)carbamoyl]methyl}-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

L861-0558 Screening compound: N-benzyl-2-{[(3,5-difluorophenyl)carbamoyl]methyl}-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
L861-0558 Screening compound: N-benzyl-2-{[(3,5-difluorophenyl)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 L861-0558
N-benzyl-2-{[(3,5-difluorophenyl)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

L861-0558

Molecular Formula

C22H17F2N5O3 (C22 H17 F2 N5 O3)

Compound Name

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

IUPAC name

N-benzyl-2-{[(35-difluorophenyl)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(F)cc(F)c1

InChI

InChI=1S/C22H17F2N5O3/c23-16-8-17(24)10-18(9-16)26-20(30)13-29-22(32)28-12-15(6-7-19(28)27-29)21(31)25-11-14-4-2-1-3-5-14/h1-10,12H,11,13H2,(H,25,31)(H,26,30)

InChI Key

YRVNITQWAAQUHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27481710

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.41

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

2.771

Distribution Coefficient, logD

2.768

Water Solubility, LogSw

-3.17

Polar Surface Area

80.362

Acid Dissociation Constant (pKa)

9.58

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with L861-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L861-0558?
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What is the minimum amount of L861-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L861-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L861-0558
  • 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 L861-0558 available by request