S515-0820 Screening compound: 7-oxo-2-[(pyridin-3-yl)methyl]azepane-2-carboxylate

S515-0820 Screening compound: 7-oxo-2-[(pyridin-3-yl)methyl]azepane-2-carboxylate
S515-0820 Screening compound: 7-oxo-2-[(pyridin-3-yl)methyl]azepane-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound S515-0820
7-oxo-2-[(pyridin-3-yl)methyl]azepane-2-carboxylate

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

S515-0820

Molecular Formula

C13H15N2O3 (C13 H15 N2 O3)

Compound Name

7-oxo-2-[(pyridin-3-yl)methyl]azepane-2-carboxylate

IUPAC name

7-oxo-2-[(pyridin-3-yl)methyl]azepane-2-carboxylate

SMILES

[O-]C(C(Cc1cnccc1)(CCCC1)NC1=O)=O

InChI

InChI=1S/C13H16N2O3/c16-11-5-1-2-6-13(15-11,12(17)18)8-10-4-3-7-14-9-10/h3-4,7,9H,1-2,5-6,8H2,(H,15,16)(H,17,18)/p-1/t13-/m1/s1

InChI Key

FZPDUOMMWPIZAE-CYBMUJFWSA-M

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

K+

Molecular Weight

247.27

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

-0.020

Distribution Coefficient, logD

-0.021

Water Solubility, LogSw

-1.08

Polar Surface Area

64.267

Acid Dissociation Constant (pKa)

14.09

Base Dissociation Constant (pKb)

3.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

S515-0820 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic

References: we are preparing a list of scientific research reports with S515-0820 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S515-0820?
Check Price and Availability of S515-0820, 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 S515-0820 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S515-0820
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S515-0820
  • 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 S515-0820 available by request