L860-0621 Screening compound: N-[(4-methylphenyl)methyl]-3-[({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

L860-0621 Screening compound: N-[(4-methylphenyl)methyl]-3-[({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
L860-0621 Screening compound: N-[(4-methylphenyl)methyl]-3-[({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L860-0621
N-[(4-methylphenyl)methyl]-3-[({[3-(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

L860-0621

Molecular Formula

C24H20F3N5O2S (C24 H20 F3 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CNC(c2cn3c(SCC(Nc4cc(C(F)(F)F)ccc4)=O)nnc3cc2)=O)cc1

InChI

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

InChI Key

CHIJRBSAOGPKTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15135242

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

4.492

Distribution Coefficient, logD

4.492

Water Solubility, LogSw

-4.18

Polar Surface Area

69.615

Acid Dissociation Constant (pKa)

10.42

Base Dissociation Constant (pKb)

-0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with L860-0621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L860-0621?
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What is the minimum amount of L860-0621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L860-0621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L860-0621
  • 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 L860-0621 available by request