7706-0972 Screening compound: 7-[(4-benzylpiperidin-1-yl)(pyridin-2-yl)methyl]-5-chloroquinolin-8-ol

7706-0972 Screening compound: 7-[(4-benzylpiperidin-1-yl)(pyridin-2-yl)methyl]-5-chloroquinolin-8-ol
7706-0972 Screening compound: 7-[(4-benzylpiperidin-1-yl)(pyridin-2-yl)methyl]-5-chloroquinolin-8-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 7706-0972
7-[(4-benzylpiperidin-1-yl)(pyridin-2-yl)methyl]-5-chloroquinolin-8-ol

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

7706-0972

Molecular Formula

C27H26ClN3O (C27 H26 ClN3 O)

Compound Name

7-[(4-benzylpiperidin-1-yl)(pyridin-2-yl)methyl]-5-chloroquinolin-8-ol

IUPAC name

7-[(4-benzylpiperidin-1-yl)(pyridin-2-yl)methyl]-5-chloroquinolin-8-ol

SMILES

Oc(c1ncccc11)c(C(c2ncccc2)N2CCC(Cc3ccccc3)CC2)cc1Cl

InChI

InChI=1S/C27H26ClN3O/c28-23-18-22(27(32)25-21(23)9-6-14-30-25)26(24-10-4-5-13-29-24)31-15-11-20(12-16-31)17-19-7-2-1-3-8-19/h1-10,13-14,18,20,26,32H,11-12,15-17H2/t26-/m0/s1

InChI Key

OOEAPXRETVROJS-SANMLTNESA-N

MDL Number (MFCD)

MFCD03847825

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.98

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.185

Distribution Coefficient, logD

6.152

Water Solubility, LogSw

-5.94

Polar Surface Area

36.781

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

6.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

7706-0972 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

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

CNS targets activity set (6557 compounds)

DGK Inhibitors Library (10558 compounds)

GPCR Targeted Library (31838 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Targeted Diversity Library (40567 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
Targets:
  • Kinases
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7706-0972 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7706-0972?
Check Price and Availability of 7706-0972, 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 7706-0972 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7706-0972
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7706-0972
  • 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 7706-0972 available by request