SB95-0210 Screening compound: N-(2-piperidinoethyl)-N-{1-[4-(trifluoromethyl)benzyl]-3-piperidyl}methanesulfonamide

SB95-0210 Screening compound: N-(2-piperidinoethyl)-N-{1-[4-(trifluoromethyl)benzyl]-3-piperidyl}methanesulfonamide
SB95-0210 Screening compound: N-(2-piperidinoethyl)-N-{1-[4-(trifluoromethyl)benzyl]-3-piperidyl}methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB95-0210
N-(2-piperidinoethyl)-N-{1-[4-(trifluoromethyl)benzyl]-3-piperidyl}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

SB95-0210

Molecular Formula

C21H32F3N3O2S (C21 H32 F3 N3 O2 S)

Compound Name

N-(2-piperidinoethyl)-N-{1-[4-(trifluoromethyl)benzyl]-3-piperidyl}methanesulfonamide

IUPAC name

N-[2-(piperidin-1-yl)ethyl]-N-(1-{[4-(trifluoromethyl)phenyl]methyl}piperidin-3-yl)methanesulfonamide

SMILES

CS(N(CCN1CCCCC1)C1CN(Cc2ccc(C(F)(F)F)cc2)CCC1)(=O)=O

InChI

InChI=1S/C21H32F3N3O2S/c1-30(28,29)27(15-14-25-11-3-2-4-12-25)20-6-5-13-26(17-20)16-18-7-9-19(10-8-18)21(22,23)24/h7-10,20H,2-6,11-17H2,1H3/t20-/m0/s1

InChI Key

FWZKWPFRSJVARN-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD32250734

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.953

Distribution Coefficient, logD

2.870

Water Solubility, LogSw

-3.15

Polar Surface Area

38.824

Acid Dissociation Constant (pKa)

24.79

Base Dissociation Constant (pKb)

6.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

71.43

SB95-0210 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB95-0210 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB95-0210?
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What is the minimum amount of SB95-0210 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB95-0210
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB95-0210
  • 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 SB95-0210 available by request