S515-0406 Screening compound: N~2~-{3-[3,4-dihydro-1(2H)-quinolinyl]propyl}-2-ethyl-7-oxo-2-azepanecarboxamide

S515-0406 Screening compound: N~2~-{3-[3,4-dihydro-1(2H)-quinolinyl]propyl}-2-ethyl-7-oxo-2-azepanecarboxamide
S515-0406 Screening compound: N~2~-{3-[3,4-dihydro-1(2H)-quinolinyl]propyl}-2-ethyl-7-oxo-2-azepanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S515-0406
N~2~-{3-[3,4-dihydro-1(2H)-quinolinyl]propyl}-2-ethyl-7-oxo-2-azepanecarboxamide

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

S515-0406

Molecular Formula

C21H31N3O2 (C21 H31 N3 O2)

Compound Name

N~2~-{3-[3,4-dihydro-1(2H)-quinolinyl]propyl}-2-ethyl-7-oxo-2-azepanecarboxamide

IUPAC name

n/a

SMILES

CCC(CCCC1)(C(NCCCN(CCC2)c3c2cccc3)=O)NC1=O

InChI

InChI=1S/C21H31N3O2/c1-2-21(13-6-5-12-19(25)23-21)20(26)22-14-8-16-24-15-7-10-17-9-3-4-11-18(17)24/h3-4,9,11H,2,5-8,10,12-16H2,1H3,(H,22,26)(H,23,25)/t21-/m0/s1

InChI Key

YFTRQUHYGPKXNF-NRFANRHFSA-N

MDL Number (MFCD)

MFCD29008261

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.538

Distribution Coefficient, logD

2.482

Water Solubility, LogSw

-2.87

Polar Surface Area

53.681

Acid Dissociation Constant (pKa)

14.35

Base Dissociation Constant (pKb)

7.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

S515-0406 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S515-0406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S515-0406?
Check Price and Availability of S515-0406, 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 S515-0406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S515-0406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S515-0406
  • 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 S515-0406 available by request