G796-1876 Screening compound: 1-(6-chloro-1H-1,3-benzodiazol-2-yl)-N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)piperidine-3-carboxamide

G796-1876 Screening compound: 1-(6-chloro-1H-1,3-benzodiazol-2-yl)-N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)piperidine-3-carboxamide
G796-1876 Screening compound: 1-(6-chloro-1H-1,3-benzodiazol-2-yl)-N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G796-1876
1-(6-chloro-1H-1,3-benzodiazol-2-yl)-N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)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

G796-1876

Molecular Formula

C26H31ClFN5O (C26 H31 ClFN5 O)

Compound Name

1-(6-chloro-1H-1,3-benzodiazol-2-yl)-N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)piperidine-3-carboxamide

IUPAC name

1-(6-chloro-1H-13-benzodiazol-2-yl)-N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)piperidine-3-carboxamide

SMILES

O=C(C(CCC1)CN1c1nc(ccc(Cl)c2)c2[nH]1)NCC1CCN(Cc(cccc2)c2F)CC1

InChI

InChI=1S/C26H31ClFN5O/c27-21-7-8-23-24(14-21)31-26(30-23)33-11-3-5-20(17-33)25(34)29-15-18-9-12-32(13-10-18)16-19-4-1-2-6-22(19)28/h1-2,4,6-8,14,18,20H,3,5,9-13,15-17H2,(H,29,34)(H,30,31)/t20-/m0/s1

InChI Key

ROTRGESUNJSSSW-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27159842

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.02

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

4.767

Distribution Coefficient, logD

2.978

Water Solubility, LogSw

-4.98

Polar Surface Area

49.988

Acid Dissociation Constant (pKa)

14.08

Base Dissociation Constant (pKb)

9.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

G796-1876 in Drug Discovery

Included in Screening Libraries

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

GPCR Targeted Library (31838 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G796-1876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G796-1876?
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What is the minimum amount of G796-1876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G796-1876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G796-1876
  • 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 G796-1876 available by request