S725-0470 Screening compound: N-[4-(cyclopropylmethyl)-1-{[4-(trifluoromethyl)phenyl]methyl}piperidin-4-yl]methanesulfonamide

S725-0470 Screening compound: N-[4-(cyclopropylmethyl)-1-{[4-(trifluoromethyl)phenyl]methyl}piperidin-4-yl]methanesulfonamide
S725-0470 Screening compound: N-[4-(cyclopropylmethyl)-1-{[4-(trifluoromethyl)phenyl]methyl}piperidin-4-yl]methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S725-0470
N-[4-(cyclopropylmethyl)-1-{[4-(trifluoromethyl)phenyl]methyl}piperidin-4-yl]methanesulfonamide

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

S725-0470

Molecular Formula

C18H25F3N2O2S (C18 H25 F3 N2 O2 S)

Compound Name

N-[4-(cyclopropylmethyl)-1-{[4-(trifluoromethyl)phenyl]methyl}piperidin-4-yl]methanesulfonamide

IUPAC name

N-[4-(cyclopropylmethyl)-1-{[4-(trifluoromethyl)phenyl]methyl}piperidin-4-yl]methanesulfonamide

SMILES

CS(NC1(CC2CC2)CCN(Cc2ccc(C(F)(F)F)cc2)CC1)(=O)=O

InChI

InChI=1S/C18H25F3N2O2S/c1-26(24,25)22-17(12-14-2-3-14)8-10-23(11-9-17)13-15-4-6-16(7-5-15)18(19,20)21/h4-7,14,22H,2-3,8-13H2,1H3

InChI Key

BFHABJZNMVPYHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31993725

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.191

Distribution Coefficient, logD

1.974

Water Solubility, LogSw

-3.45

Polar Surface Area

47.262

Acid Dissociation Constant (pKa)

11.90

Base Dissociation Constant (pKb)

8.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.67

S725-0470 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S725-0470 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S725-0470?
Check Price and Availability of S725-0470, 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 S725-0470 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S725-0470
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S725-0470
  • 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 S725-0470 available by request