S515-0148 Screening compound: 2-methyl-7-oxo-N-[4-(propan-2-yl)phenyl]azepane-2-carboxamide

S515-0148 Screening compound: 2-methyl-7-oxo-N-[4-(propan-2-yl)phenyl]azepane-2-carboxamide
S515-0148 Screening compound: 2-methyl-7-oxo-N-[4-(propan-2-yl)phenyl]azepane-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S515-0148
2-methyl-7-oxo-N-[4-(propan-2-yl)phenyl]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

S515-0148

Molecular Formula

C17H24N2O2 (C17 H24 N2 O2)

Compound Name

2-methyl-7-oxo-N-[4-(propan-2-yl)phenyl]azepane-2-carboxamide

IUPAC name

2-methyl-7-oxo-N-[4-(propan-2-yl)phenyl]azepane-2-carboxamide

SMILES

CC(C)c(cc1)ccc1NC(C(C)(CCCC1)NC1=O)=O

InChI

InChI=1S/C17H24N2O2/c1-12(2)13-7-9-14(10-8-13)18-16(21)17(3)11-5-4-6-15(20)19-17/h7-10,12H,4-6,11H2,1-3H3,(H,18,21)(H,19,20)/t17-/m0/s1

InChI Key

UUKQQMRIGHQUHV-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD29008856

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.020

Distribution Coefficient, logD

3.020

Water Solubility, LogSw

-3.34

Polar Surface Area

49.097

Acid Dissociation Constant (pKa)

11.99

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.90

S515-0148 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)

Inhibitors of beta-Catenin Signaling (7445 compounds)

SH2 PTB Focused Library (6188 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 S515-0148 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S515-0148?
Check Price and Availability of S515-0148, 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 S515-0148 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S515-0148
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S515-0148
  • 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 S515-0148 available by request