G796-1896 Screening compound: 2-{3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl}-1H-1,3-benzodiazole

G796-1896 Screening compound: 2-{3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl}-1H-1,3-benzodiazole
G796-1896 Screening compound: 2-{3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound G796-1896
2-{3-[4-(2,5-dimethylphenyl)piperazine-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

G796-1896

Molecular Formula

C25H31N5O (C25 H31 N5 O)

Compound Name

2-{3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl}-1H-1,3-benzodiazole

IUPAC name

2-{3-[4-(25-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl}-1H-13-benzodiazole

SMILES

Cc1cc(N(CC2)CCN2C(C(CCC2)CN2c2nc(cccc3)c3[nH]2)=O)c(C)cc1

InChI

InChI=1S/C25H31N5O/c1-18-9-10-19(2)23(16-18)28-12-14-29(15-13-28)24(31)20-6-5-11-30(17-20)25-26-21-7-3-4-8-22(21)27-25/h3-4,7-10,16,20H,5-6,11-15,17H2,1-2H3,(H,26,27)/t20-/m0/s1

InChI Key

AYAYCAAVLKNMHB-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD15036763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.55

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

4.262

Distribution Coefficient, logD

4.214

Water Solubility, LogSw

-4.29

Polar Surface Area

41.450

Acid Dissociation Constant (pKa)

14.31

Base Dissociation Constant (pKb)

6.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

G796-1896 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CNS Targets (44014 compounds)

CORONAVIRUS Library (20774 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

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Antiviral
  • Infections
  • Immune 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 G796-1896 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G796-1896?
Check Price and Availability of G796-1896, 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 G796-1896 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G796-1896
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G796-1896
  • 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 G796-1896 available by request