S425-0442 Screening compound: 1-{4-[2-(BENZYLOXY)ETHOXY]PIPERIDINO}-2-(3-THIENYL)-1-ETHANONE

S425-0442 Screening compound: 1-{4-[2-(BENZYLOXY)ETHOXY]PIPERIDINO}-2-(3-THIENYL)-1-ETHANONE
S425-0442 Screening compound: 1-{4-[2-(BENZYLOXY)ETHOXY]PIPERIDINO}-2-(3-THIENYL)-1-ETHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound S425-0442
1-{4-[2-(BENZYLOXY)ETHOXY]PIPERIDINO}-2-(3-THIENYL)-1-ETHANONE

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

S425-0442

Molecular Formula

C20H25NO3S (C20 H25 NO3 S)

Compound Name

1-{4-[2-(BENZYLOXY)ETHOXY]PIPERIDINO}-2-(3-THIENYL)-1-ETHANONE

IUPAC name

n/a

SMILES

O=C(Cc1cscc1)N(CC1)CCC1OCCOCc1ccccc1

InChI

InChI=1S/C20H25NO3S/c22-20(14-18-8-13-25-16-18)21-9-6-19(7-10-21)24-12-11-23-15-17-4-2-1-3-5-17/h1-5,8,13,16,19H,6-7,9-12,14-15H2

InChI Key

YNCIHXXPVDMMJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29009546

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.611

Distribution Coefficient, logD

2.611

Water Solubility, LogSw

-2.67

Polar Surface Area

32.391

Acid Dissociation Constant (pKa)

19.07

Base Dissociation Constant (pKb)

0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

S425-0442 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S425-0442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S425-0442?
Check Price and Availability of S425-0442, 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 S425-0442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S425-0442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S425-0442
  • 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 S425-0442 available by request