S535-0896 Screening compound: N-(2-fluorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]azepane-1-carboxamide

S535-0896 Screening compound: N-(2-fluorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]azepane-1-carboxamide
S535-0896 Screening compound: N-(2-fluorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]azepane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S535-0896
N-(2-fluorophenyl)-4-[(4-methylpiperidin-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

S535-0896

Molecular Formula

C20H30FN3O (C20 H30 FN3 O)

Compound Name

N-(2-fluorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]azepane-1-carboxamide

IUPAC name

N-(2-fluorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]azepane-1-carboxamide

SMILES

CC1CCN(CC(CCC2)CCN2C(Nc(cccc2)c2F)=O)CC1

InChI

InChI=1S/C20H30FN3O/c1-16-8-12-23(13-9-16)15-17-5-4-11-24(14-10-17)20(25)22-19-7-3-2-6-18(19)21/h2-3,6-7,16-17H,4-5,8-15H2,1H3,(H,22,25)/t17-/m1/s1

InChI Key

GZNZSBYQBRBANY-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD30466585

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.884

Distribution Coefficient, logD

1.332

Water Solubility, LogSw

-3.92

Polar Surface Area

29.073

Acid Dissociation Constant (pKa)

12.14

Base Dissociation Constant (pKb)

9.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

S535-0896 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Aurora A-B Kinases Targeted Library (9426 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
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Targets:
  • Kinases
  • Ion Channels
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S535-0896 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S535-0896?
Check Price and Availability of S535-0896, 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 S535-0896 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S535-0896
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S535-0896
  • 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 S535-0896 available by request