FF30-0261 Screening compound: 1-[(piperidin-4-yl)methyl]-1H-1,3-benzodiazole

FF30-0261 Screening compound: 1-[(piperidin-4-yl)methyl]-1H-1,3-benzodiazole
FF30-0261 Screening compound: 1-[(piperidin-4-yl)methyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound FF30-0261
1-[(piperidin-4-yl)methyl]-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

FF30-0261

Molecular Formula

C13H17N3 (C13 H17 N3)

Compound Name

1-[(piperidin-4-yl)methyl]-1H-1,3-benzodiazole

IUPAC name

1-[(piperidin-4-yl)methyl]-1H-13-benzodiazole

SMILES

C(C1CCNCC1)n1c(cccc2)c2nc1

InChI

InChI=1S/C13H17N3/c1-2-4-13-12(3-1)15-10-16(13)9-11-5-7-14-8-6-11/h1-4,10-11,14H,5-9H2

InChI Key

QYSKIWPKKCCIEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01102045

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

215.3

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

0.692

Distribution Coefficient, logD

-2.332

Water Solubility, LogSw

-1.01

Polar Surface Area

22.576

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

10.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.15

FF30-0261 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

STING Agonist Library (5895 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cancer
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Others
  • Ion Channels

References: we are preparing a list of scientific research reports with FF30-0261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound FF30-0261?
Check Price and Availability of FF30-0261, 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 FF30-0261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for FF30-0261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for FF30-0261
  • 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 FF30-0261 available by request