S515-0094 Screening compound: N-[4-(morpholin-4-yl)phenyl]-7-oxoazepane-2-carboxamide

S515-0094 Screening compound: N-[4-(morpholin-4-yl)phenyl]-7-oxoazepane-2-carboxamide
S515-0094 Screening compound: N-[4-(morpholin-4-yl)phenyl]-7-oxoazepane-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S515-0094
N-[4-(morpholin-4-yl)phenyl]-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

S515-0094

Molecular Formula

C17H23N3O3 (C17 H23 N3 O3)

Compound Name

N-[4-(morpholin-4-yl)phenyl]-7-oxoazepane-2-carboxamide

IUPAC name

N-[4-(morpholin-4-yl)phenyl]-7-oxoazepane-2-carboxamide

SMILES

O=C(C(CCCC1)NC1=O)Nc(cc1)ccc1N1CCOCC1

InChI

InChI=1S/C17H23N3O3/c21-16-4-2-1-3-15(19-16)17(22)18-13-5-7-14(8-6-13)20-9-11-23-12-10-20/h5-8,15H,1-4,9-12H2,(H,18,22)(H,19,21)/t15-/m0/s1

InChI Key

KBXGDCQLJNMAMN-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD31975999

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.419

Distribution Coefficient, logD

1.418

Water Solubility, LogSw

-2.04

Polar Surface Area

60.668

Acid Dissociation Constant (pKa)

12.19

Base Dissociation Constant (pKb)

6.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.94

S515-0094 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 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 S515-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S515-0094?
Check Price and Availability of S515-0094, 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 S515-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S515-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S515-0094
  • 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 S515-0094 available by request