L861-0487 Screening compound: N-benzyl-3-oxo-2-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

L861-0487 Screening compound: N-benzyl-3-oxo-2-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
L861-0487 Screening compound: N-benzyl-3-oxo-2-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L861-0487
N-benzyl-3-oxo-2-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-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

L861-0487

Molecular Formula

C23H18F3N5O3 (C23 H18 F3 N5 O3)

Compound Name

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

IUPAC name

N-benzyl-3-oxo-2-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-2H3H-[124]triazolo[43-a]pyridine-6-carboxamide

SMILES

O=C(CN1N=C(C=CC(C(NCc2ccccc2)=O)=C2)N2C1=O)Nc1cccc(C(F)(F)F)c1

InChI

InChI=1S/C23H18F3N5O3/c24-23(25,26)17-7-4-8-18(11-17)28-20(32)14-31-22(34)30-13-16(9-10-19(30)29-31)21(33)27-12-15-5-2-1-3-6-15/h1-11,13H,12,14H2,(H,27,33)(H,28,32)

InChI Key

JUFPHYZBPUJVTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27481671

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.351

Distribution Coefficient, logD

3.351

Water Solubility, LogSw

-3.63

Polar Surface Area

80.362

Acid Dissociation Constant (pKa)

10.11

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

L861-0487 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with L861-0487 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L861-0487?
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What is the minimum amount of L861-0487 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L861-0487
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L861-0487
  • 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 L861-0487 available by request