L806-6467 Screening compound: 1-(2-fluorophenyl)-5-(pyridin-3-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,3-triazole-4-carboxamide

L806-6467 Screening compound: 1-(2-fluorophenyl)-5-(pyridin-3-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,3-triazole-4-carboxamide
L806-6467 Screening compound: 1-(2-fluorophenyl)-5-(pyridin-3-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L806-6467
1-(2-fluorophenyl)-5-(pyridin-3-yl)-N-{[3-(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

L806-6467

Molecular Formula

C22H15F4N5O (C22 H15 F4 N5 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1c(-c2cnccc2)n(-c(cccc2)c2F)nn1)NCc1cc(C(F)(F)F)ccc1

InChI

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

InChI Key

FRARRGMOINMLPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22590709

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

3.471

Distribution Coefficient, logD

3.471

Water Solubility, LogSw

-3.64

Polar Surface Area

59.470

Acid Dissociation Constant (pKa)

13.16

Base Dissociation Constant (pKb)

2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

L806-6467 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

MCL1 Targeted Library (12200 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with L806-6467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L806-6467?
Check Price and Availability of L806-6467, 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 L806-6467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L806-6467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L806-6467
  • 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 L806-6467 available by request