G796-0842 Screening compound: 1-(6-CHLORO-1H-1,3-BENZODIAZOL-2-YL)-N-[2-(CYCLOHEX-1-EN-1-YL)ETHYL]PIPERIDINE-4-CARBOXAMIDE

G796-0842 Screening compound: 1-(6-CHLORO-1H-1,3-BENZODIAZOL-2-YL)-N-[2-(CYCLOHEX-1-EN-1-YL)ETHYL]PIPERIDINE-4-CARBOXAMIDE
G796-0842 Screening compound: 1-(6-CHLORO-1H-1,3-BENZODIAZOL-2-YL)-N-[2-(CYCLOHEX-1-EN-1-YL)ETHYL]PIPERIDINE-4-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound G796-0842
1-(6-CHLORO-1H-1,3-BENZODIAZOL-2-YL)-N-[2-(CYCLOHEX-1-EN-1-YL)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

G796-0842

Molecular Formula

C21H27ClN4O (C21 H27 ClN4 O)

Compound Name

1-(6-CHLORO-1H-1,3-BENZODIAZOL-2-YL)-N-[2-(CYCLOHEX-1-EN-1-YL)ETHYL]PIPERIDINE-4-CARBOXAMIDE

IUPAC name

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

SMILES

O=C(C(CC1)CCN1c1nc(ccc(Cl)c2)c2[nH]1)NCCC1=CCCCC1

InChI

InChI=1S/C21H27ClN4O/c22-17-6-7-18-19(14-17)25-21(24-18)26-12-9-16(10-13-26)20(27)23-11-8-15-4-2-1-3-5-15/h4,6-7,14,16H,1-3,5,8-13H2,(H,23,27)(H,24,25)

InChI Key

JBNMKZWYZAMWBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15036639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.92

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.075

Distribution Coefficient, logD

4.044

Water Solubility, LogSw

-4.44

Polar Surface Area

46.356

Acid Dissociation Constant (pKa)

14.59

Base Dissociation Constant (pKb)

6.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

G796-0842 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G796-0842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G796-0842?
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What is the minimum amount of G796-0842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G796-0842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G796-0842
  • 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 G796-0842 available by request