S515-0066 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-7-oxoazepane-2-carboxamide

S515-0066 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-7-oxoazepane-2-carboxamide
S515-0066 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-7-oxoazepane-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S515-0066
N-[2-(1H-indol-3-yl)ethyl]-7-oxoazepane-2-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

S515-0066

Molecular Formula

C17H21N3O2 (C17 H21 N3 O2)

Compound Name

N-[2-(1H-indol-3-yl)ethyl]-7-oxoazepane-2-carboxamide

IUPAC name

N-[2-(1H-indol-3-yl)ethyl]-7-oxoazepane-2-carboxamide

SMILES

O=C(C(CCCC1)NC1=O)NCCc1c[nH]c2c1cccc2

InChI

InChI=1S/C17H21N3O2/c21-16-8-4-3-7-15(20-16)17(22)18-10-9-12-11-19-14-6-2-1-5-13(12)14/h1-2,5-6,11,15,19H,3-4,7-10H2,(H,18,22)(H,20,21)/t15-/m0/s1

InChI Key

FHTXSJIOWMOPRQ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD29008230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.574

Distribution Coefficient, logD

1.574

Water Solubility, LogSw

-1.94

Polar Surface Area

60.341

Acid Dissociation Constant (pKa)

14.16

Base Dissociation Constant (pKb)

2.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

S515-0066 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 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 S515-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S515-0066?
Check Price and Availability of S515-0066, 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 S515-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S515-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S515-0066
  • 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 S515-0066 available by request