L806-3064 Screening compound: N-(cyclohexylmethyl)-1-phenyl-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide

L806-3064 Screening compound: N-(cyclohexylmethyl)-1-phenyl-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide
L806-3064 Screening compound: N-(cyclohexylmethyl)-1-phenyl-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L806-3064
N-(cyclohexylmethyl)-1-phenyl-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

L806-3064

Molecular Formula

C21H23N5O (C21 H23 N5 O)

Compound Name

N-(cyclohexylmethyl)-1-phenyl-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide

IUPAC name

N-(cyclohexylmethyl)-1-phenyl-5-(pyridin-3-yl)-1H-123-triazole-4-carboxamide

SMILES

O=C(c1c(-c2cnccc2)n(-c2ccccc2)nn1)NCC1CCCCC1

InChI

InChI=1S/C21H23N5O/c27-21(23-14-16-8-3-1-4-9-16)19-20(17-10-7-13-22-15-17)26(25-24-19)18-11-5-2-6-12-18/h2,5-7,10-13,15-16H,1,3-4,8-9,14H2,(H,23,27)

InChI Key

GNTFGEOYTGALEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27476327

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.45

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

3.256

Distribution Coefficient, logD

3.256

Water Solubility, LogSw

-3.35

Polar Surface Area

59.963

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

L806-3064 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Cardiovascular Library (22201 compounds)

Regenerative Medicine Focused Library (23016 compounds)

SH2 Library (10483 compounds)

Ion Channels Focused Library (26372 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Endocrine
  • Nervous system
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
Targets:
  • Ion Channels
  • Phosphatases

References: we are preparing a list of scientific research reports with L806-3064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L806-3064?
Check Price and Availability of L806-3064, 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 L806-3064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L806-3064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L806-3064
  • 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 L806-3064 available by request