S425-0495 Screening compound: 4-[2-(benzyloxy)ethoxy]-1-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperidine

S425-0495 Screening compound: 4-[2-(benzyloxy)ethoxy]-1-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperidine
S425-0495 Screening compound: 4-[2-(benzyloxy)ethoxy]-1-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S425-0495
4-[2-(benzyloxy)ethoxy]-1-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperidine

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

S425-0495

Molecular Formula

C25H29N3O4 (C25 H29 N3 O4)

Compound Name

4-[2-(benzyloxy)ethoxy]-1-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperidine

IUPAC name

4-[2-(benzyloxy)ethoxy]-1-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperidine

SMILES

COc1cccc(-c2n[nH]c(C(N(CC3)CCC3OCCOCc3ccccc3)=O)c2)c1

InChI

InChI=1S/C25H29N3O4/c1-30-22-9-5-8-20(16-22)23-17-24(27-26-23)25(29)28-12-10-21(11-13-28)32-15-14-31-18-19-6-3-2-4-7-19/h2-9,16-17,21H,10-15,18H2,1H3,(H,26,27)

InChI Key

LNIIZVCOFKAPFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29007036

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.493

Distribution Coefficient, logD

3.493

Water Solubility, LogSw

-3.73

Polar Surface Area

61.933

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

1.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

S425-0495 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 S425-0495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S425-0495?
Check Price and Availability of S425-0495, 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 S425-0495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S425-0495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S425-0495
  • 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 S425-0495 available by request