G796-0882 Screening compound: 1-(6-chloro-1H-1,3-benzodiazol-2-yl)-N-[2-(3,4-diethoxyphenyl)ethyl]piperidine-4-carboxamide

G796-0882 Screening compound: 1-(6-chloro-1H-1,3-benzodiazol-2-yl)-N-[2-(3,4-diethoxyphenyl)ethyl]piperidine-4-carboxamide
G796-0882 Screening compound: 1-(6-chloro-1H-1,3-benzodiazol-2-yl)-N-[2-(3,4-diethoxyphenyl)ethyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G796-0882
1-(6-chloro-1H-1,3-benzodiazol-2-yl)-N-[2-(3,4-diethoxyphenyl)ethyl]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

G796-0882

Molecular Formula

C25H31ClN4O3 (C25 H31 ClN4 O3)

Compound Name

1-(6-chloro-1H-1,3-benzodiazol-2-yl)-N-[2-(3,4-diethoxyphenyl)ethyl]piperidine-4-carboxamide

IUPAC name

1-(6-chloro-1H-13-benzodiazol-2-yl)-N-[2-(34-diethoxyphenyl)ethyl]piperidine-4-carboxamide

SMILES

CCOc(ccc(CCNC(C(CC1)CCN1c1nc(ccc(Cl)c2)c2[nH]1)=O)c1)c1OCC

InChI

InChI=1S/C25H31ClN4O3/c1-3-32-22-8-5-17(15-23(22)33-4-2)9-12-27-24(31)18-10-13-30(14-11-18)25-28-20-7-6-19(26)16-21(20)29-25/h5-8,15-16,18H,3-4,9-14H2,1-2H3,(H,27,31)(H,28,29)

InChI Key

DJBLGFAOLYKIHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15036645

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.713

Distribution Coefficient, logD

3.682

Water Solubility, LogSw

-4.12

Polar Surface Area

60.584

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

6.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

G796-0882 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Chelators targeting matrix metalloproteinases library (8930 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

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Cardiovascular
  • 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 G796-0882 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G796-0882?
Check Price and Availability of G796-0882, 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 G796-0882 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G796-0882
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G796-0882
  • 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 G796-0882 available by request