8019-7728 Screening compound: 2-(piperidin-1-yl)-1H-1,3-benzodiazole

8019-7728 Screening compound: 2-(piperidin-1-yl)-1H-1,3-benzodiazole
8019-7728 Screening compound: 2-(piperidin-1-yl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-7728
2-(piperidin-1-yl)-1H-1,3-benzodiazole

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

8019-7728

Molecular Formula

C12H15N3 (C12 H15 N3)

Compound Name

2-(piperidin-1-yl)-1H-1,3-benzodiazole

IUPAC name

2-(piperidin-1-yl)-1H-13-benzodiazole

SMILES

C(CC1)CCN1c1nc(cccc2)c2[nH]1

InChI

InChI=1S/C12H15N3/c1-4-8-15(9-5-1)12-13-10-6-2-3-7-11(10)14-12/h2-3,6-7H,1,4-5,8-9H2,(H,13,14)

InChI Key

JUYQSMXGDBGGSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00569558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

201.27

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.612

Distribution Coefficient, logD

2.539

Water Solubility, LogSw

-2.74

Polar Surface Area

21.909

Acid Dissociation Constant (pKa)

14.59

Base Dissociation Constant (pKb)

6.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

8019-7728 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

3D-Biodiversity Library (27607 compounds)

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

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

CORONAVIRUS Library (20774 compounds)

GPCR Targeted Library (31838 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Cardiovascular
Structure:
  • 3D
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8019-7728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-7728?
Check Price and Availability of 8019-7728, 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 8019-7728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-7728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-7728
  • 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 8019-7728 available by request