G796-0016 Screening compound: 2-{4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl}-6-methyl-1H-1,3-benzodiazole

G796-0016 Screening compound: 2-{4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl}-6-methyl-1H-1,3-benzodiazole
G796-0016 Screening compound: 2-{4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl}-6-methyl-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound G796-0016
2-{4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl}-6-methyl-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

G796-0016

Molecular Formula

C25H30ClN5O (C25 H30 ClN5 O)

Compound Name

2-{4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl}-6-methyl-1H-1,3-benzodiazole

IUPAC name

2-{4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl}-6-methyl-1H-13-benzodiazole

SMILES

Cc(cc1)cc([nH]2)c1nc2N(CC1)CCC1C(N(CC1)CCN1c1c(C)ccc(Cl)c1)=O

InChI

InChI=1S/C25H30ClN5O/c1-17-3-6-21-22(15-17)28-25(27-21)31-9-7-19(8-10-31)24(32)30-13-11-29(12-14-30)23-16-20(26)5-4-18(23)2/h3-6,15-16,19H,7-14H2,1-2H3,(H,27,28)

InChI Key

JSUWZRBIWSKUQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15036430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.960

Distribution Coefficient, logD

4.876

Water Solubility, LogSw

-4.86

Polar Surface Area

41.517

Acid Dissociation Constant (pKa)

14.25

Base Dissociation Constant (pKb)

6.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

G796-0016 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)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Chemokine Receptor-Targeted Library (18382 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

References: we are preparing a list of scientific research reports with G796-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G796-0016?
Check Price and Availability of G796-0016, 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 G796-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G796-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G796-0016
  • 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 G796-0016 available by request