G796-0599 Screening compound: 1-(1H-1,3-benzodiazol-2-yl)-N-({1-[(4-chlorophenyl)methyl]piperidin-4-yl}methyl)piperidine-4-carboxamide

G796-0599 Screening compound: 1-(1H-1,3-benzodiazol-2-yl)-N-({1-[(4-chlorophenyl)methyl]piperidin-4-yl}methyl)piperidine-4-carboxamide
G796-0599 Screening compound: 1-(1H-1,3-benzodiazol-2-yl)-N-({1-[(4-chlorophenyl)methyl]piperidin-4-yl}methyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G796-0599
1-(1H-1,3-benzodiazol-2-yl)-N-({1-[(4-chlorophenyl)methyl]piperidin-4-yl}methyl)piperidine-4-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

G796-0599

Molecular Formula

C26H32ClN5O (C26 H32 ClN5 O)

Compound Name

1-(1H-1,3-benzodiazol-2-yl)-N-({1-[(4-chlorophenyl)methyl]piperidin-4-yl}methyl)piperidine-4-carboxamide

IUPAC name

1-(1H-13-benzodiazol-2-yl)-N-({1-[(4-chlorophenyl)methyl]piperidin-4-yl}methyl)piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1c1nc(cccc2)c2[nH]1)NCC1CCN(Cc(cc2)ccc2Cl)CC1

InChI

InChI=1S/C26H32ClN5O/c27-22-7-5-20(6-8-22)18-31-13-9-19(10-14-31)17-28-25(33)21-11-15-32(16-12-21)26-29-23-3-1-2-4-24(23)30-26/h1-8,19,21H,9-18H2,(H,28,33)(H,29,30)

InChI Key

NLUHFHMVVGGMFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15036579

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.03

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

4.159

Distribution Coefficient, logD

2.523

Water Solubility, LogSw

-4.49

Polar Surface Area

50.055

Acid Dissociation Constant (pKa)

14.15

Base Dissociation Constant (pKb)

9.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

G796-0599 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anti-Inflammatory Library (24602 compounds)

CNS Targets (44014 compounds)

CORONAVIRUS Library (20774 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Immune system
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Immune system
Targets:
  • Proteases
  • GPCR
  • Ion Channels
  • Proteases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G796-0599 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G796-0599?
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What is the minimum amount of G796-0599 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G796-0599
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G796-0599
  • 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 G796-0599 available by request