S065-0058 Screening compound: N-{1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl}-3-phenylpropanamide

S065-0058 Screening compound: N-{1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl}-3-phenylpropanamide
S065-0058 Screening compound: N-{1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl}-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S065-0058
N-{1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl}-3-phenylpropanamide

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

S065-0058

Molecular Formula

C20H27N5O (C20 H27 N5 O)

Compound Name

N-{1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl}-3-phenylpropanamide

IUPAC name

N-{1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl}-3-phenylpropanamide

SMILES

CN(C)c1cc(N(CCC2)CC2NC(CCc2ccccc2)=O)ncn1

InChI

InChI=1S/C20H27N5O/c1-24(2)18-13-19(22-15-21-18)25-12-6-9-17(14-25)23-20(26)11-10-16-7-4-3-5-8-16/h3-5,7-8,13,15,17H,6,9-12,14H2,1-2H3,(H,23,26)/t17-/m0/s1

InChI Key

KLRWLOSCNCLTQN-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27643337

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.366

Distribution Coefficient, logD

3.293

Water Solubility, LogSw

-3.74

Polar Surface Area

48.899

Acid Dissociation Constant (pKa)

14.41

Base Dissociation Constant (pKb)

6.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

S065-0058 in Drug Discovery

Included in Screening Libraries

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

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Inhibitors of beta-Catenin Signaling (7445 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 S065-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S065-0058?
Check Price and Availability of S065-0058, 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 S065-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S065-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S065-0058
  • 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 S065-0058 available by request