J005-0955 Screening compound: 2-(4-methylphenyl)-1-(2,4,5-trimethylbenzenesulfonyl)piperidine

J005-0955 Screening compound: 2-(4-methylphenyl)-1-(2,4,5-trimethylbenzenesulfonyl)piperidine
J005-0955 Screening compound: 2-(4-methylphenyl)-1-(2,4,5-trimethylbenzenesulfonyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound J005-0955
2-(4-methylphenyl)-1-(2,4,5-trimethylbenzenesulfonyl)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

J005-0955

Molecular Formula

C21H27NO2S (C21 H27 NO2 S)

Compound Name

2-(4-methylphenyl)-1-(2,4,5-trimethylbenzenesulfonyl)piperidine

IUPAC name

2-(4-methylphenyl)-1-(245-trimethylbenzenesulfonyl)piperidine

SMILES

Cc1ccc(C(CCCC2)N2S(c2c(C)cc(C)c(C)c2)(=O)=O)cc1

InChI

InChI=1S/C21H27NO2S/c1-15-8-10-19(11-9-15)20-7-5-6-12-22(20)25(23,24)21-14-17(3)16(2)13-18(21)4/h8-11,13-14,20H,5-7,12H2,1-4H3/t20-/m0/s1

InChI Key

PQSAMWDKELEIBK-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD15077791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.668

Distribution Coefficient, logD

5.668

Water Solubility, LogSw

-5.43

Polar Surface Area

32.149

Acid Dissociation Constant (pKa)

24.89

Base Dissociation Constant (pKb)

-3.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

J005-0955 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with J005-0955 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J005-0955?
Check Price and Availability of J005-0955, 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 J005-0955 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J005-0955
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J005-0955
  • 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 J005-0955 available by request