G796-1439 Screening compound: 1-(6-bromo-1H-1,3-benzodiazol-2-yl)-N-[2-(cyclohex-1-en-1-yl)ethyl]piperidine-3-carboxamide

G796-1439 Screening compound: 1-(6-bromo-1H-1,3-benzodiazol-2-yl)-N-[2-(cyclohex-1-en-1-yl)ethyl]piperidine-3-carboxamide
G796-1439 Screening compound: 1-(6-bromo-1H-1,3-benzodiazol-2-yl)-N-[2-(cyclohex-1-en-1-yl)ethyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G796-1439
1-(6-bromo-1H-1,3-benzodiazol-2-yl)-N-[2-(cyclohex-1-en-1-yl)ethyl]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

G796-1439

Molecular Formula

C21H27BrN4O (C21 H27 BrN4 O)

Compound Name

1-(6-bromo-1H-1,3-benzodiazol-2-yl)-N-[2-(cyclohex-1-en-1-yl)ethyl]piperidine-3-carboxamide

IUPAC name

1-(6-bromo-1H-13-benzodiazol-2-yl)-N-[2-(cyclohex-1-en-1-yl)ethyl]piperidine-3-carboxamide

SMILES

O=C(C(CCC1)CN1c1nc(ccc(Br)c2)c2[nH]1)NCCC1=CCCCC1

InChI

InChI=1S/C21H27BrN4O/c22-17-8-9-18-19(13-17)25-21(24-18)26-12-4-7-16(14-26)20(27)23-11-10-15-5-2-1-3-6-15/h5,8-9,13,16H,1-4,6-7,10-12,14H2,(H,23,27)(H,24,25)/t16-/m0/s1

InChI Key

MIVCVSMKHOFAMI-INIZCTEOSA-N

MDL Number (MFCD)

MFCD15036689

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.38

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

4.062

Distribution Coefficient, logD

4.014

Water Solubility, LogSw

-4.12

Polar Surface Area

46.289

Acid Dissociation Constant (pKa)

14.31

Base Dissociation Constant (pKb)

6.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.40

G796-1439 in Drug Discovery

Included in Screening Libraries

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

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Targeted Diversity Library (40567 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G796-1439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G796-1439?
Check Price and Availability of G796-1439, 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 G796-1439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G796-1439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G796-1439
  • 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 G796-1439 available by request