G796-0561 Screening compound: 1-(1H-1,3-benzodiazol-2-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-4-carboxamide

G796-0561 Screening compound: 1-(1H-1,3-benzodiazol-2-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-4-carboxamide
G796-0561 Screening compound: 1-(1H-1,3-benzodiazol-2-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G796-0561
1-(1H-1,3-benzodiazol-2-yl)-N-[2-(5-methyl-1H-indol-3-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

G796-0561

Molecular Formula

C24H27N5O (C24 H27 N5 O)

Compound Name

1-(1H-1,3-benzodiazol-2-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-4-carboxamide

IUPAC name

1-(1H-13-benzodiazol-2-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-4-carboxamide

SMILES

Cc(cc1)cc2c1[nH]cc2CCNC(C(CC1)CCN1c1nc(cccc2)c2[nH]1)=O

InChI

InChI=1S/C24H27N5O/c1-16-6-7-20-19(14-16)18(15-26-20)8-11-25-23(30)17-9-12-29(13-10-17)24-27-21-4-2-3-5-22(21)28-24/h2-7,14-15,17,26H,8-13H2,1H3,(H,25,30)(H,27,28)

InChI Key

QPEJUGVSIVEZOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15036563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.589

Distribution Coefficient, logD

3.558

Water Solubility, LogSw

-3.70

Polar Surface Area

56.035

Acid Dissociation Constant (pKa)

13.87

Base Dissociation Constant (pKb)

6.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G796-0561 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 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
Therapeutical areas:
  • 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 G796-0561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G796-0561?
Check Price and Availability of G796-0561, 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 G796-0561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G796-0561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G796-0561
  • 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 G796-0561 available by request