S690-1728 Screening compound: 1-{4-[(4-{2-[(piperidin-1-yl)methyl]piperidine-1-carbonyl}phenyl)methyl]piperidin-1-yl}ethan-1-one

S690-1728 Screening compound: 1-{4-[(4-{2-[(piperidin-1-yl)methyl]piperidine-1-carbonyl}phenyl)methyl]piperidin-1-yl}ethan-1-one
S690-1728 Screening compound: 1-{4-[(4-{2-[(piperidin-1-yl)methyl]piperidine-1-carbonyl}phenyl)methyl]piperidin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S690-1728
1-{4-[(4-{2-[(piperidin-1-yl)methyl]piperidine-1-carbonyl}phenyl)methyl]piperidin-1-yl}ethan-1-one

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

S690-1728

Molecular Formula

C26H39N3O2 (C26 H39 N3 O2)

Compound Name

1-{4-[(4-{2-[(piperidin-1-yl)methyl]piperidine-1-carbonyl}phenyl)methyl]piperidin-1-yl}ethan-1-one

IUPAC name

1-{4-[(4-{2-[(piperidin-1-yl)methyl]piperidine-1-carbonyl}phenyl)methyl]piperidin-1-yl}ethan-1-one

SMILES

CC(N1CCC(Cc(cc2)ccc2C(N2C(CN3CCCCC3)CCCC2)=O)CC1)=O

InChI

InChI=1S/C26H39N3O2/c1-21(30)28-17-12-23(13-18-28)19-22-8-10-24(11-9-22)26(31)29-16-6-3-7-25(29)20-27-14-4-2-5-15-27/h8-11,23,25H,2-7,12-20H2,1H3/t25-/m1/s1

InChI Key

PBOIMZFCRMIBAV-RUZDIDTESA-N

MDL Number (MFCD)

MFCD31997443

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.599

Distribution Coefficient, logD

3.053

Water Solubility, LogSw

-3.54

Polar Surface Area

37.382

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

7.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

69.23

S690-1728 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S690-1728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S690-1728?
Check Price and Availability of S690-1728, 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 S690-1728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S690-1728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S690-1728
  • 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 S690-1728 available by request