L806-0271 Screening compound: 1-benzyl-4-[1-(2-chlorophenyl)-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carbonyl]piperazine

L806-0271 Screening compound: 1-benzyl-4-[1-(2-chlorophenyl)-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carbonyl]piperazine
L806-0271 Screening compound: 1-benzyl-4-[1-(2-chlorophenyl)-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound L806-0271
1-benzyl-4-[1-(2-chlorophenyl)-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carbonyl]piperazine

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

L806-0271

Molecular Formula

C25H23ClN6O (C25 H23 ClN6 O)

Compound Name

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

IUPAC name

1-benzyl-4-[1-(2-chlorophenyl)-5-(pyridin-3-yl)-1H-123-triazole-4-carbonyl]piperazine

SMILES

O=C(c1c(-c2cnccc2)n(-c(cccc2)c2Cl)nn1)N1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C25H23ClN6O/c26-21-10-4-5-11-22(21)32-24(20-9-6-12-27-17-20)23(28-29-32)25(33)31-15-13-30(14-16-31)18-19-7-2-1-3-8-19/h1-12,17H,13-16,18H2

InChI Key

QHCKDFUHCZJBQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27476274

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.985

Distribution Coefficient, logD

2.970

Water Solubility, LogSw

-3.34

Polar Surface Area

55.245

Acid Dissociation Constant (pKa)

27.94

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

L806-0271 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with L806-0271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L806-0271?
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What is the minimum amount of L806-0271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L806-0271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L806-0271
  • 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 L806-0271 available by request