G796-0611 Screening compound: 1-(1H-1,3-benzodiazol-2-yl)-N-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide

G796-0611 Screening compound: 1-(1H-1,3-benzodiazol-2-yl)-N-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide
G796-0611 Screening compound: 1-(1H-1,3-benzodiazol-2-yl)-N-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G796-0611
1-(1H-1,3-benzodiazol-2-yl)-N-[(2,4-dimethoxyphenyl)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

G796-0611

Molecular Formula

C22H26N4O3 (C22 H26 N4 O3)

Compound Name

1-(1H-1,3-benzodiazol-2-yl)-N-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide

IUPAC name

1-(1H-13-benzodiazol-2-yl)-N-[(24-dimethoxyphenyl)methyl]piperidine-4-carboxamide

SMILES

COc1cc(OC)c(CNC(C(CC2)CCN2c2nc(cccc3)c3[nH]2)=O)cc1

InChI

InChI=1S/C22H26N4O3/c1-28-17-8-7-16(20(13-17)29-2)14-23-21(27)15-9-11-26(12-10-15)22-24-18-5-3-4-6-19(18)25-22/h3-8,13,15H,9-12,14H2,1-2H3,(H,23,27)(H,24,25)

InChI Key

LRXRYZAOZYVTRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15036587

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.836

Distribution Coefficient, logD

2.804

Water Solubility, LogSw

-3.23

Polar Surface Area

61.496

Acid Dissociation Constant (pKa)

13.57

Base Dissociation Constant (pKb)

6.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

G796-0611 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Immunological Library (6760 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G796-0611 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G796-0611?
Check Price and Availability of G796-0611, 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 G796-0611 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G796-0611
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G796-0611
  • 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 G796-0611 available by request