S329-4944 Screening compound: N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-N-(oxan-4-yl)-2-phenylacetamide

S329-4944 Screening compound: N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-N-(oxan-4-yl)-2-phenylacetamide
S329-4944 Screening compound: N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-N-(oxan-4-yl)-2-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S329-4944
N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-N-(oxan-4-yl)-2-phenylacetamide

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

S329-4944

Molecular Formula

C27H34N2O3 (C27 H34 N2 O3)

Compound Name

N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-N-(oxan-4-yl)-2-phenylacetamide

IUPAC name

N-[1-(34-dimethylbenzoyl)piperidin-4-yl]-N-(oxan-4-yl)-2-phenylacetamide

SMILES

Cc(cc1)c(C)cc1C(N(CC1)CCC1N(C1CCOCC1)C(Cc1ccccc1)=O)=O

InChI

InChI=1S/C27H34N2O3/c1-20-8-9-23(18-21(20)2)27(31)28-14-10-24(11-15-28)29(25-12-16-32-17-13-25)26(30)19-22-6-4-3-5-7-22/h3-9,18,24-25H,10-17,19H2,1-2H3

InChI Key

ASWHFTOMBNXBMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31973764

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.142

Distribution Coefficient, logD

4.142

Water Solubility, LogSw

-4.26

Polar Surface Area

38.613

Acid Dissociation Constant (pKa)

19.37

Base Dissociation Constant (pKb)

2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.15

S329-4944 in Drug Discovery

Included in Screening Libraries

Bromodomain Modulators Library (5801 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S329-4944 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S329-4944?
Check Price and Availability of S329-4944, 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 S329-4944 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S329-4944
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S329-4944
  • 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 S329-4944 available by request