F058-0125 Screening compound: 5-(4-benzylpiperidine-1-carbonyl)-1-methyl-1H-1,2,3-benzotriazole

F058-0125 Screening compound: 5-(4-benzylpiperidine-1-carbonyl)-1-methyl-1H-1,2,3-benzotriazole
F058-0125 Screening compound: 5-(4-benzylpiperidine-1-carbonyl)-1-methyl-1H-1,2,3-benzotriazole alternative view

Chemical Structure Depiction of ChemDiv screening compound F058-0125
5-(4-benzylpiperidine-1-carbonyl)-1-methyl-1H-1,2,3-benzotriazole

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

F058-0125

Molecular Formula

C20H22N4O (C20 H22 N4 O)

Compound Name

5-(4-benzylpiperidine-1-carbonyl)-1-methyl-1H-1,2,3-benzotriazole

IUPAC name

5-(4-benzylpiperidine-1-carbonyl)-1-methyl-1H-123-benzotriazole

SMILES

Cn1nnc2c1ccc(C(N1CCC(Cc3ccccc3)CC1)=O)c2

InChI

InChI=1S/C20H22N4O/c1-23-19-8-7-17(14-18(19)21-22-23)20(25)24-11-9-16(10-12-24)13-15-5-3-2-4-6-15/h2-8,14,16H,9-13H2,1H3

InChI Key

XOITUDLFSPCVCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27097063

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.942

Distribution Coefficient, logD

2.942

Water Solubility, LogSw

-3.32

Polar Surface Area

42.599

Acid Dissociation Constant (pKa)

25.45

Base Dissociation Constant (pKb)

2.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

F058-0125 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

GPCR Targeted Library (31838 compounds)

Proline Kinase Library (2105 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • GPCR
  • Kinases

References: we are preparing a list of scientific research reports with F058-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F058-0125?
Check Price and Availability of F058-0125, 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 F058-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F058-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F058-0125
  • 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 F058-0125 available by request