S515-0803 Screening compound: 7-{4-[(4-methylphenyl)methyl]piperazine-1-carbonyl}-7-[(pyridin-3-yl)methyl]azepan-2-one

S515-0803 Screening compound: 7-{4-[(4-methylphenyl)methyl]piperazine-1-carbonyl}-7-[(pyridin-3-yl)methyl]azepan-2-one
S515-0803 Screening compound: 7-{4-[(4-methylphenyl)methyl]piperazine-1-carbonyl}-7-[(pyridin-3-yl)methyl]azepan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S515-0803
7-{4-[(4-methylphenyl)methyl]piperazine-1-carbonyl}-7-[(pyridin-3-yl)methyl]azepan-2-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

S515-0803

Molecular Formula

C25H32N4O2 (C25 H32 N4 O2)

Compound Name

7-{4-[(4-methylphenyl)methyl]piperazine-1-carbonyl}-7-[(pyridin-3-yl)methyl]azepan-2-one

IUPAC name

7-{4-[(4-methylphenyl)methyl]piperazine-1-carbonyl}-7-[(pyridin-3-yl)methyl]azepan-2-one

SMILES

Cc1ccc(CN(CC2)CCN2C(C(Cc2cnccc2)(CCCC2)NC2=O)=O)cc1

InChI

InChI=1S/C25H32N4O2/c1-20-7-9-21(10-8-20)19-28-13-15-29(16-14-28)24(31)25(11-3-2-6-23(30)27-25)17-22-5-4-12-26-18-22/h4-5,7-10,12,18H,2-3,6,11,13-17,19H2,1H3,(H,27,30)/t25-/m1/s1

InChI Key

IODRBPJZMDLWMK-RUZDIDTESA-N

MDL Number (MFCD)

MFCD29014548

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.802

Distribution Coefficient, logD

1.680

Water Solubility, LogSw

-1.63

Polar Surface Area

56.048

Acid Dissociation Constant (pKa)

12.68

Base Dissociation Constant (pKb)

6.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

S515-0803 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Autophagy-Targeted Library (4564 compounds)

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

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S515-0803 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S515-0803?
Check Price and Availability of S515-0803, 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 S515-0803 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S515-0803
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S515-0803
  • 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 S515-0803 available by request