L806-3178 Screening compound: N-[(4-fluorophenyl)methyl]-1-(3-methylphenyl)-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide

L806-3178 Screening compound: N-[(4-fluorophenyl)methyl]-1-(3-methylphenyl)-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide
L806-3178 Screening compound: N-[(4-fluorophenyl)methyl]-1-(3-methylphenyl)-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L806-3178
N-[(4-fluorophenyl)methyl]-1-(3-methylphenyl)-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

L806-3178

Molecular Formula

C22H18FN5O (C22 H18 FN5 O)

Compound Name

N-[(4-fluorophenyl)methyl]-1-(3-methylphenyl)-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide

IUPAC name

N-[(4-fluorophenyl)methyl]-1-(3-methylphenyl)-5-(pyridin-3-yl)-1H-123-triazole-4-carboxamide

SMILES

Cc1cccc(-n2nnc(C(NCc(cc3)ccc3F)=O)c2-c2cnccc2)c1

InChI

InChI=1S/C22H18FN5O/c1-15-4-2-6-19(12-15)28-21(17-5-3-11-24-14-17)20(26-27-28)22(29)25-13-16-7-9-18(23)10-8-16/h2-12,14H,13H2,1H3,(H,25,29)

InChI Key

WNIWGWVDUPQTRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27476337

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.215

Distribution Coefficient, logD

3.215

Water Solubility, LogSw

-3.04

Polar Surface Area

59.771

Acid Dissociation Constant (pKa)

12.74

Base Dissociation Constant (pKb)

2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with L806-3178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L806-3178?
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What is the minimum amount of L806-3178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L806-3178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L806-3178
  • 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 L806-3178 available by request