F971-0609 Screening compound: 2-{2-[4-(piperidine-1-carbonyl)phenyl]ethyl}-1H-1,3-benzodiazole

F971-0609 Screening compound: 2-{2-[4-(piperidine-1-carbonyl)phenyl]ethyl}-1H-1,3-benzodiazole
F971-0609 Screening compound: 2-{2-[4-(piperidine-1-carbonyl)phenyl]ethyl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound F971-0609
2-{2-[4-(piperidine-1-carbonyl)phenyl]ethyl}-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

F971-0609

Molecular Formula

C21H23N3O (C21 H23 N3 O)

Compound Name

2-{2-[4-(piperidine-1-carbonyl)phenyl]ethyl}-1H-1,3-benzodiazole

IUPAC name

2-{2-[4-(piperidine-1-carbonyl)phenyl]ethyl}-1H-13-benzodiazole

SMILES

O=C(c1ccc(CCc2nc(cccc3)c3[nH]2)cc1)N1CCCCC1

InChI

InChI=1S/C21H23N3O/c25-21(24-14-4-1-5-15-24)17-11-8-16(9-12-17)10-13-20-22-18-6-2-3-7-19(18)23-20/h2-3,6-9,11-12H,1,4-5,10,13-15H2,(H,22,23)

InChI Key

JYMWTJZRJCIKOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27206269

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.902

Distribution Coefficient, logD

3.877

Water Solubility, LogSw

-4.12

Polar Surface Area

36.897

Acid Dissociation Constant (pKa)

11.93

Base Dissociation Constant (pKb)

6.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

F971-0609 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Proteases
  • Ion Channels

References: we are preparing a list of scientific research reports with F971-0609 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F971-0609?
Check Price and Availability of F971-0609, 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 F971-0609 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F971-0609
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F971-0609
  • 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 F971-0609 available by request