S032-1013 Screening compound: N-{2-[3-(2-methoxyphenyl)propanoyl]-2-azabicyclo[2.2.1]heptan-6-yl}benzamide

S032-1013 Screening compound: N-{2-[3-(2-methoxyphenyl)propanoyl]-2-azabicyclo[2.2.1]heptan-6-yl}benzamide
S032-1013 Screening compound: N-{2-[3-(2-methoxyphenyl)propanoyl]-2-azabicyclo[2.2.1]heptan-6-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S032-1013
N-{2-[3-(2-methoxyphenyl)propanoyl]-2-azabicyclo[2.2.1]heptan-6-yl}benzamide

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

S032-1013

Molecular Formula

C23H26N2O3 (C23 H26 N2 O3)

Compound Name

N-{2-[3-(2-methoxyphenyl)propanoyl]-2-azabicyclo[2.2.1]heptan-6-yl}benzamide

IUPAC name

N-[(1R4R6S)-2-[3-(2-methoxyphenyl)propanoyl]-2-azabicyclo[2.2.1]heptan-6-yl]benzamide

SMILES

COc1c(CCC(N(C[C@@H](C2)C3)[C@@H]3[C@@H]2NC(c2ccccc2)=O)=O)cccc1

InChI

InChI=1S/C23H26N2O3/c1-28-21-10-6-5-7-17(21)11-12-22(26)25-15-16-13-19(20(25)14-16)24-23(27)18-8-3-2-4-9-18/h2-10,16,19-20H,11-15H2,1H3,(H,24,27)/t16-,19-,20-/m0/s1

InChI Key

QQFPAMCJXGQTTB-VDGAXYAQSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.333

Distribution Coefficient, logD

3.333

Water Solubility, LogSw

-3.68

Polar Surface Area

48.202

Acid Dissociation Constant (pKa)

14.17

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

39.10

S032-1013 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S032-1013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S032-1013?
Check Price and Availability of S032-1013, 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 S032-1013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S032-1013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S032-1013
  • 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 S032-1013 available by request