S534-0220 Screening compound: N-(4-methoxyphenyl)-2-[(pyrrolidin-1-yl)methyl]azepane-1-carboxamide

S534-0220 Screening compound: N-(4-methoxyphenyl)-2-[(pyrrolidin-1-yl)methyl]azepane-1-carboxamide
S534-0220 Screening compound: N-(4-methoxyphenyl)-2-[(pyrrolidin-1-yl)methyl]azepane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S534-0220
N-(4-methoxyphenyl)-2-[(pyrrolidin-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

S534-0220

Molecular Formula

C19H29N3O2 (C19 H29 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1NC(N1C(CN2CCCC2)CCCCC1)=O

InChI

InChI=1S/C19H29N3O2/c1-24-18-10-8-16(9-11-18)20-19(23)22-14-4-2-3-7-17(22)15-21-12-5-6-13-21/h8-11,17H,2-7,12-15H2,1H3,(H,20,23)/t17-/m1/s1

InChI Key

QFGCUKCUAHPXHR-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD31989743

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.041

Distribution Coefficient, logD

0.131

Water Solubility, LogSw

-3.46

Polar Surface Area

37.327

Acid Dissociation Constant (pKa)

14.15

Base Dissociation Constant (pKb)

10.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.16

S534-0220 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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
  • Female
  • Congenital
  • Skin
  • Cancer
  • Hemic and lymphatic
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S534-0220 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S534-0220?
Check Price and Availability of S534-0220, 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 S534-0220 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S534-0220
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S534-0220
  • 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 S534-0220 available by request