S776-1016 Screening compound: 1-(4-{2-[5-methyl-2-(pyridin-3-yl)-1H-imidazol-1-yl]ethyl}piperidin-1-yl)-4-phenylbutan-1-one

S776-1016 Screening compound: 1-(4-{2-[5-methyl-2-(pyridin-3-yl)-1H-imidazol-1-yl]ethyl}piperidin-1-yl)-4-phenylbutan-1-one
S776-1016 Screening compound: 1-(4-{2-[5-methyl-2-(pyridin-3-yl)-1H-imidazol-1-yl]ethyl}piperidin-1-yl)-4-phenylbutan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S776-1016
1-(4-{2-[5-methyl-2-(pyridin-3-yl)-1H-imidazol-1-yl]ethyl}piperidin-1-yl)-4-phenylbutan-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

S776-1016

Molecular Formula

C26H32N4O (C26 H32 N4 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1cnc(-c2cnccc2)n1CCC(CC1)CCN1C(CCCc1ccccc1)=O

InChI

InChI=1S/C26H32N4O/c1-21-19-28-26(24-10-6-15-27-20-24)30(21)18-14-23-12-16-29(17-13-23)25(31)11-5-9-22-7-3-2-4-8-22/h2-4,6-8,10,15,19-20,23H,5,9,11-14,16-18H2,1H3

InChI Key

GNWBEYFHKAYPKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32227344

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.284

Distribution Coefficient, logD

3.826

Water Solubility, LogSw

-4.08

Polar Surface Area

36.769

Acid Dissociation Constant (pKa)

22.47

Base Dissociation Constant (pKb)

7.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.31

S776-1016 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)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S776-1016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S776-1016?
Check Price and Availability of S776-1016, 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 S776-1016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S776-1016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S776-1016
  • 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 S776-1016 available by request