P970-0131 Screening compound: 3-(2-methoxyphenyl)-N-[(oxan-4-yl)methyl]propanamide

P970-0131 Screening compound: 3-(2-methoxyphenyl)-N-[(oxan-4-yl)methyl]propanamide
P970-0131 Screening compound: 3-(2-methoxyphenyl)-N-[(oxan-4-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P970-0131
3-(2-methoxyphenyl)-N-[(oxan-4-yl)methyl]propanamide

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

P970-0131

Molecular Formula

C16H23NO3 (C16 H23 NO3)

Compound Name

3-(2-methoxyphenyl)-N-[(oxan-4-yl)methyl]propanamide

IUPAC name

3-(2-methoxyphenyl)-N-[(oxan-4-yl)methyl]propanamide

SMILES

COc1c(CCC(NCC2CCOCC2)=O)cccc1

InChI

InChI=1S/C16H23NO3/c1-19-15-5-3-2-4-14(15)6-7-16(18)17-12-13-8-10-20-11-9-13/h2-5,13H,6-12H2,1H3,(H,17,18)

InChI Key

WNDYLXLYALBUBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28995341

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

277.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.128

Distribution Coefficient, logD

2.128

Water Solubility, LogSw

-2.42

Polar Surface Area

40.169

Acid Dissociation Constant (pKa)

14.19

Base Dissociation Constant (pKb)

4.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

P970-0131 in Drug Discovery

Included in Screening Libraries

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

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with P970-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P970-0131?
Check Price and Availability of P970-0131, 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 P970-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P970-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P970-0131
  • 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 P970-0131 available by request