S534-0727 Screening compound: N-(4-methoxyphenyl)-2-[(4-methoxypiperidin-1-yl)methyl]azepane-1-carboxamide

S534-0727 Screening compound: N-(4-methoxyphenyl)-2-[(4-methoxypiperidin-1-yl)methyl]azepane-1-carboxamide
S534-0727 Screening compound: N-(4-methoxyphenyl)-2-[(4-methoxypiperidin-1-yl)methyl]azepane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S534-0727
N-(4-methoxyphenyl)-2-[(4-methoxypiperidin-1-yl)methyl]azepane-1-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

S534-0727

Molecular Formula

C21H33N3O3 (C21 H33 N3 O3)

Compound Name

N-(4-methoxyphenyl)-2-[(4-methoxypiperidin-1-yl)methyl]azepane-1-carboxamide

IUPAC name

N-(4-methoxyphenyl)-2-[(4-methoxypiperidin-1-yl)methyl]azepane-1-carboxamide

SMILES

COC1CCN(CC(CCCCC2)N2C(Nc(cc2)ccc2OC)=O)CC1

InChI

InChI=1S/C21H33N3O3/c1-26-19-9-7-17(8-10-19)22-21(25)24-13-5-3-4-6-18(24)16-23-14-11-20(27-2)12-15-23/h7-10,18,20H,3-6,11-16H2,1-2H3,(H,22,25)/t18-/m1/s1

InChI Key

MTRHJWGYYALWEP-GOSISDBHSA-N

MDL Number (MFCD)

MFCD31987332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.741

Distribution Coefficient, logD

0.693

Water Solubility, LogSw

-3.27

Polar Surface Area

44.019

Acid Dissociation Constant (pKa)

14.15

Base Dissociation Constant (pKb)

9.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

S534-0727 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

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

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S534-0727 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S534-0727?
Check Price and Availability of S534-0727, 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 S534-0727 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S534-0727
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S534-0727
  • 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 S534-0727 available by request