L860-0615 Screening compound: N-[(4-methylphenyl)methyl]-3-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

L860-0615 Screening compound: N-[(4-methylphenyl)methyl]-3-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
L860-0615 Screening compound: N-[(4-methylphenyl)methyl]-3-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L860-0615
N-[(4-methylphenyl)methyl]-3-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-[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

L860-0615

Molecular Formula

C24H20F3N5O2S (C24 H20 F3 N5 O2 S)

Compound Name

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

IUPAC name

N-[(4-methylphenyl)methyl]-3-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-[124]triazolo[43-a]pyridine-6-carboxamide

SMILES

Cc1ccc(CNC(c2cn3c(SCC(Nc4c(C(F)(F)F)cccc4)=O)nnc3cc2)=O)cc1

InChI

InChI=1S/C24H20F3N5O2S/c1-15-6-8-16(9-7-15)12-28-22(34)17-10-11-20-30-31-23(32(20)13-17)35-14-21(33)29-19-5-3-2-4-18(19)24(25,26)27/h2-11,13H,12,14H2,1H3,(H,28,34)(H,29,33)

InChI Key

CPKIKOIVIVXNHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15135241

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.965

Distribution Coefficient, logD

3.965

Water Solubility, LogSw

-3.95

Polar Surface Area

68.917

Acid Dissociation Constant (pKa)

12.54

Base Dissociation Constant (pKb)

-0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

L860-0615 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 L860-0615 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L860-0615?
Check Price and Availability of L860-0615, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L860-0615 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L860-0615
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L860-0615
  • 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 L860-0615 available by request