L806-6453 Screening compound: 1-(2-fluorophenyl)-N-{[4-(methylsulfanyl)phenyl]methyl}-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide

L806-6453 Screening compound: 1-(2-fluorophenyl)-N-{[4-(methylsulfanyl)phenyl]methyl}-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide
L806-6453 Screening compound: 1-(2-fluorophenyl)-N-{[4-(methylsulfanyl)phenyl]methyl}-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L806-6453
1-(2-fluorophenyl)-N-{[4-(methylsulfanyl)phenyl]methyl}-5-(pyridin-3-yl)-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

L806-6453

Molecular Formula

C22H18FN5OS (C22 H18 FN5 OS)

Compound Name

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

IUPAC name

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

SMILES

CSc1ccc(CNC(c2c(-c3cnccc3)n(-c(cccc3)c3F)nn2)=O)cc1

InChI

InChI=1S/C22H18FN5OS/c1-30-17-10-8-15(9-11-17)13-25-22(29)20-21(16-5-4-12-24-14-16)28(27-26-20)19-7-3-2-6-18(19)23/h2-12,14H,13H2,1H3,(H,25,29)

InChI Key

KNVOZUGQMDMUII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22590706

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.391

Distribution Coefficient, logD

3.391

Water Solubility, LogSw

-3.61

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

L806-6453 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L806-6453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L806-6453?
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What is the minimum amount of L806-6453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L806-6453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L806-6453
  • 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 L806-6453 available by request