L806-6466 Screening compound: 1-(2-fluorophenyl)-5-(pyridin-3-yl)-N-{[2-(trifluoromethyl)phenyl]methyl}-1H-1,2,3-triazole-4-carboxamide

L806-6466 Screening compound: 1-(2-fluorophenyl)-5-(pyridin-3-yl)-N-{[2-(trifluoromethyl)phenyl]methyl}-1H-1,2,3-triazole-4-carboxamide
L806-6466 Screening compound: 1-(2-fluorophenyl)-5-(pyridin-3-yl)-N-{[2-(trifluoromethyl)phenyl]methyl}-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L806-6466
1-(2-fluorophenyl)-5-(pyridin-3-yl)-N-{[2-(trifluoromethyl)phenyl]methyl}-1H-1,2,3-triazole-4-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

L806-6466

Molecular Formula

C22H15F4N5O (C22 H15 F4 N5 O)

Compound Name

1-(2-fluorophenyl)-5-(pyridin-3-yl)-N-{[2-(trifluoromethyl)phenyl]methyl}-1H-1,2,3-triazole-4-carboxamide

IUPAC name

1-(2-fluorophenyl)-5-(pyridin-3-yl)-N-{[2-(trifluoromethyl)phenyl]methyl}-1H-123-triazole-4-carboxamide

SMILES

O=C(c1c(-c2cnccc2)n(-c(cccc2)c2F)nn1)NCc1c(C(F)(F)F)cccc1

InChI

InChI=1S/C22H15F4N5O/c23-17-9-3-4-10-18(17)31-20(15-7-5-11-27-12-15)19(29-30-31)21(32)28-13-14-6-1-2-8-16(14)22(24,25)26/h1-12H,13H2,(H,28,32)

InChI Key

KGWIYUJTNLEHCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27476400

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.722

Distribution Coefficient, logD

3.722

Water Solubility, LogSw

-4.09

Polar Surface Area

59.470

Acid Dissociation Constant (pKa)

12.46

Base Dissociation Constant (pKb)

2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

L806-6466 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with L806-6466 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L806-6466?
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What is the minimum amount of L806-6466 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L806-6466
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L806-6466
  • 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 L806-6466 available by request