G796-2122 Screening compound: N-[3-(azepan-1-yl)propyl]-1-(1H-1,3-benzodiazol-2-yl)piperidine-3-carboxamide

G796-2122 Screening compound: N-[3-(azepan-1-yl)propyl]-1-(1H-1,3-benzodiazol-2-yl)piperidine-3-carboxamide
G796-2122 Screening compound: N-[3-(azepan-1-yl)propyl]-1-(1H-1,3-benzodiazol-2-yl)piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G796-2122
N-[3-(azepan-1-yl)propyl]-1-(1H-1,3-benzodiazol-2-yl)piperidine-3-carboxamide

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

G796-2122

Molecular Formula

C22H33N5O (C22 H33 N5 O)

Compound Name

N-[3-(azepan-1-yl)propyl]-1-(1H-1,3-benzodiazol-2-yl)piperidine-3-carboxamide

IUPAC name

N-[3-(azepan-1-yl)propyl]-1-(1H-13-benzodiazol-2-yl)piperidine-3-carboxamide

SMILES

O=C(C(CCC1)CN1c1nc(cccc2)c2[nH]1)NCCCN1CCCCCC1

InChI

InChI=1S/C22H33N5O/c28-21(23-12-8-15-26-13-5-1-2-6-14-26)18-9-7-16-27(17-18)22-24-19-10-3-4-11-20(19)25-22/h3-4,10-11,18H,1-2,5-9,12-17H2,(H,23,28)(H,24,25)/t18-/m0/s1

InChI Key

XVHRQSDIYHORQQ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD15036797

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.648

Distribution Coefficient, logD

0.020

Water Solubility, LogSw

-2.76

Polar Surface Area

50.411

Acid Dissociation Constant (pKa)

14.31

Base Dissociation Constant (pKb)

10.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.60

G796-2122 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

GPCR Targeted Library (31838 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • GPCR
  • GPCR
  • Ion Channels
  • Proteases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G796-2122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G796-2122?
Check Price and Availability of G796-2122, 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 G796-2122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G796-2122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G796-2122
  • 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 G796-2122 available by request