S330-4166 Screening compound: ethyl 3-[({4-[(1-benzyl-4-piperidyl)oxy]piperidino}carbonyl)amino]propanoate

S330-4166 Screening compound: ethyl 3-[({4-[(1-benzyl-4-piperidyl)oxy]piperidino}carbonyl)amino]propanoate
S330-4166 Screening compound: ethyl 3-[({4-[(1-benzyl-4-piperidyl)oxy]piperidino}carbonyl)amino]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound S330-4166
ethyl 3-[({4-[(1-benzyl-4-piperidyl)oxy]piperidino}carbonyl)amino]propanoate

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

S330-4166

Molecular Formula

C23H35N3O4 (C23 H35 N3 O4)

Compound Name

ethyl 3-[({4-[(1-benzyl-4-piperidyl)oxy]piperidino}carbonyl)amino]propanoate

IUPAC name

ethyl 3-({4-[(1-benzylpiperidin-4-yl)oxy]piperidine-1-carbonyl}amino)propanoate

SMILES

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

InChI

InChI=1S/C23H35N3O4/c1-2-29-22(27)8-13-24-23(28)26-16-11-21(12-17-26)30-20-9-14-25(15-10-20)18-19-6-4-3-5-7-19/h3-7,20-21H,2,8-18H2,1H3,(H,24,28)

InChI Key

HBCNXHFIAODPLR-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.018

Distribution Coefficient, logD

0.691

Water Solubility, LogSw

-2.37

Polar Surface Area

56.810

Acid Dissociation Constant (pKa)

16.56

Base Dissociation Constant (pKb)

8.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.22

S330-4166 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)

Alpha-Helix Mimetics Library (25899 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
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with S330-4166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S330-4166?
Check Price and Availability of S330-4166, 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 S330-4166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S330-4166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S330-4166
  • 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 S330-4166 available by request