P970-0488 Screening compound: N-[(4-methyloxan-4-yl)methyl]-2-(4-methylphenoxy)acetamide

P970-0488 Screening compound: N-[(4-methyloxan-4-yl)methyl]-2-(4-methylphenoxy)acetamide
P970-0488 Screening compound: N-[(4-methyloxan-4-yl)methyl]-2-(4-methylphenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P970-0488
N-[(4-methyloxan-4-yl)methyl]-2-(4-methylphenoxy)acetamide

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

P970-0488

Molecular Formula

C16H23NO3 (C16 H23 NO3)

Compound Name

N-[(4-methyloxan-4-yl)methyl]-2-(4-methylphenoxy)acetamide

IUPAC name

N-[(4-methyloxan-4-yl)methyl]-2-(4-methylphenoxy)acetamide

SMILES

CC1(CNC(COc2ccc(C)cc2)=O)CCOCC1

InChI

InChI=1S/C16H23NO3/c1-13-3-5-14(6-4-13)20-11-15(18)17-12-16(2)7-9-19-10-8-16/h3-6H,7-12H2,1-2H3,(H,17,18)

InChI Key

GFDAUSQTUVRTLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27616381

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

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.553

Distribution Coefficient, logD

2.553

Water Solubility, LogSw

-2.74

Polar Surface Area

40.038

Acid Dissociation Constant (pKa)

15.14

Base Dissociation Constant (pKb)

5.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

P970-0488 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P970-0488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P970-0488?
Check Price and Availability of P970-0488, 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 P970-0488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P970-0488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P970-0488
  • 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 P970-0488 available by request