S515-0145 Screening compound: 2-methyl-7-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]azepane-2-carboxamide

S515-0145 Screening compound: 2-methyl-7-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]azepane-2-carboxamide
S515-0145 Screening compound: 2-methyl-7-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]azepane-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S515-0145
2-methyl-7-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]azepane-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

S515-0145

Molecular Formula

C15H25N3O3 (C15 H25 N3 O3)

Compound Name

2-methyl-7-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]azepane-2-carboxamide

IUPAC name

2-methyl-7-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]azepane-2-carboxamide

SMILES

CC(CCCC1)(C(NCCCN(CCC2)C2=O)=O)NC1=O

InChI

InChI=1S/C15H25N3O3/c1-15(8-3-2-6-12(19)17-15)14(21)16-9-5-11-18-10-4-7-13(18)20/h2-11H2,1H3,(H,16,21)(H,17,19)/t15-/m0/s1

InChI Key

QOXXBRQNROLKMW-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD29014534

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.821

Distribution Coefficient, logD

-0.821

Water Solubility, LogSw

-0.72

Polar Surface Area

67.773

Acid Dissociation Constant (pKa)

13.99

Base Dissociation Constant (pKb)

1.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

80.00

S515-0145 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S515-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S515-0145?
Check Price and Availability of S515-0145, 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 S515-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S515-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S515-0145
  • 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 S515-0145 available by request