G796-0686 Screening compound: 6-chloro-2-[4-(4-cyclohexylpiperazine-1-carbonyl)piperidin-1-yl]-1H-1,3-benzodiazole

G796-0686 Screening compound: 6-chloro-2-[4-(4-cyclohexylpiperazine-1-carbonyl)piperidin-1-yl]-1H-1,3-benzodiazole
G796-0686 Screening compound: 6-chloro-2-[4-(4-cyclohexylpiperazine-1-carbonyl)piperidin-1-yl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound G796-0686
6-chloro-2-[4-(4-cyclohexylpiperazine-1-carbonyl)piperidin-1-yl]-1H-1,3-benzodiazole

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

G796-0686

Molecular Formula

C23H32ClN5O (C23 H32 ClN5 O)

Compound Name

6-chloro-2-[4-(4-cyclohexylpiperazine-1-carbonyl)piperidin-1-yl]-1H-1,3-benzodiazole

IUPAC name

6-chloro-2-[4-(4-cyclohexylpiperazine-1-carbonyl)piperidin-1-yl]-1H-13-benzodiazole

SMILES

O=C(C(CC1)CCN1c1nc(ccc(Cl)c2)c2[nH]1)N(CC1)CCN1C1CCCCC1

InChI

InChI=1S/C23H32ClN5O/c24-18-6-7-20-21(16-18)26-23(25-20)29-10-8-17(9-11-29)22(30)28-14-12-27(13-15-28)19-4-2-1-3-5-19/h6-7,16-17,19H,1-5,8-15H2,(H,25,26)

InChI Key

XAFCTJFNYWMISS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15036602

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.99

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.102

Distribution Coefficient, logD

3.689

Water Solubility, LogSw

-4.37

Polar Surface Area

41.651

Acid Dissociation Constant (pKa)

14.59

Base Dissociation Constant (pKb)

7.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.20

G796-0686 in Drug Discovery

Included in Screening Libraries

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

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

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Targeted Diversity Library (40567 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G796-0686 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G796-0686?
Check Price and Availability of G796-0686, 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 G796-0686 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G796-0686
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G796-0686
  • 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 G796-0686 available by request