S330-4057 Screening compound: 4-[(1-benzyl-4-piperidyl)oxy]-N~1~-ethyltetrahydro-1(2H)-pyridinecarboxamide

S330-4057 Screening compound: 4-[(1-benzyl-4-piperidyl)oxy]-N~1~-ethyltetrahydro-1(2H)-pyridinecarboxamide
S330-4057 Screening compound: 4-[(1-benzyl-4-piperidyl)oxy]-N~1~-ethyltetrahydro-1(2H)-pyridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S330-4057
4-[(1-benzyl-4-piperidyl)oxy]-N~1~-ethyltetrahydro-1(2H)-pyridinecarboxamide

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

S330-4057

Molecular Formula

C20H31N3O2 (C20 H31 N3 O2)

Compound Name

4-[(1-benzyl-4-piperidyl)oxy]-N~1~-ethyltetrahydro-1(2H)-pyridinecarboxamide

IUPAC name

4-[(1-benzylpiperidin-4-yl)oxy]-N-ethylpiperidine-1-carboxamide

SMILES

CCNC(N(CC1)CCC1OC1CCN(Cc2ccccc2)CC1)=O

InChI

InChI=1S/C20H31N3O2/c1-2-21-20(24)23-14-10-19(11-15-23)25-18-8-12-22(13-9-18)16-17-6-4-3-5-7-17/h3-7,18-19H,2,8-16H2,1H3,(H,21,24)

InChI Key

QAPHYFKYIXUKDJ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.902

Distribution Coefficient, logD

0.575

Water Solubility, LogSw

-2.19

Polar Surface Area

36.435

Acid Dissociation Constant (pKa)

16.62

Base Dissociation Constant (pKb)

8.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.00

S330-4057 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with S330-4057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S330-4057?
Check Price and Availability of S330-4057, 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 S330-4057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S330-4057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S330-4057
  • 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 S330-4057 available by request