L806-2462 Screening compound: 1-[1-(3-chlorophenyl)-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carbonyl]azepane

L806-2462 Screening compound: 1-[1-(3-chlorophenyl)-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carbonyl]azepane
L806-2462 Screening compound: 1-[1-(3-chlorophenyl)-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carbonyl]azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound L806-2462
1-[1-(3-chlorophenyl)-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carbonyl]azepane

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

L806-2462

Molecular Formula

C20H20ClN5O (C20 H20 ClN5 O)

Compound Name

1-[1-(3-chlorophenyl)-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carbonyl]azepane

IUPAC name

1-[1-(3-chlorophenyl)-5-(pyridin-3-yl)-1H-123-triazole-4-carbonyl]azepane

SMILES

O=C(c1c(-c2cnccc2)n(-c2cccc(Cl)c2)nn1)N1CCCCCC1

InChI

InChI=1S/C20H20ClN5O/c21-16-8-5-9-17(13-16)26-19(15-7-6-10-22-14-15)18(23-24-26)20(27)25-11-3-1-2-4-12-25/h5-10,13-14H,1-4,11-12H2

InChI Key

SKVZRLIAFCGZAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27476308

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.383

Distribution Coefficient, logD

3.383

Water Solubility, LogSw

-3.60

Polar Surface Area

52.336

Acid Dissociation Constant (pKa)

27.95

Base Dissociation Constant (pKb)

2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

L806-2462 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

SH2 Library (10483 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Endocrine
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with L806-2462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L806-2462?
Check Price and Availability of L806-2462, 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 L806-2462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L806-2462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L806-2462
  • 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 L806-2462 available by request