S776-0996 Screening compound: 2-(3-methoxyphenyl)-1-(4-{2-[5-methyl-2-(pyridin-3-yl)-1H-imidazol-1-yl]ethyl}piperidin-1-yl)ethan-1-one

S776-0996 Screening compound: 2-(3-methoxyphenyl)-1-(4-{2-[5-methyl-2-(pyridin-3-yl)-1H-imidazol-1-yl]ethyl}piperidin-1-yl)ethan-1-one
S776-0996 Screening compound: 2-(3-methoxyphenyl)-1-(4-{2-[5-methyl-2-(pyridin-3-yl)-1H-imidazol-1-yl]ethyl}piperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S776-0996
2-(3-methoxyphenyl)-1-(4-{2-[5-methyl-2-(pyridin-3-yl)-1H-imidazol-1-yl]ethyl}piperidin-1-yl)ethan-1-one

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

S776-0996

Molecular Formula

C25H30N4O2 (C25 H30 N4 O2)

Compound Name

2-(3-methoxyphenyl)-1-(4-{2-[5-methyl-2-(pyridin-3-yl)-1H-imidazol-1-yl]ethyl}piperidin-1-yl)ethan-1-one

IUPAC name

2-(3-methoxyphenyl)-1-(4-{2-[5-methyl-2-(pyridin-3-yl)-1H-imidazol-1-yl]ethyl}piperidin-1-yl)ethan-1-one

SMILES

Cc1cnc(-c2cnccc2)n1CCC(CC1)CCN1C(Cc1cc(OC)ccc1)=O

InChI

InChI=1S/C25H30N4O2/c1-19-17-27-25(22-6-4-11-26-18-22)29(19)14-10-20-8-12-28(13-9-20)24(30)16-21-5-3-7-23(15-21)31-2/h3-7,11,15,17-18,20H,8-10,12-14,16H2,1-2H3

InChI Key

NNHRZQZCKOZXIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31994025

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.495

Distribution Coefficient, logD

3.037

Water Solubility, LogSw

-3.38

Polar Surface Area

44.313

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

7.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

S776-0996 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S776-0996 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S776-0996?
Check Price and Availability of S776-0996, 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 S776-0996 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S776-0996
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S776-0996
  • 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 S776-0996 available by request