J009-0042 Screening compound: N-(2-ethoxyphenyl)-1-phenylmethanesulfonylpiperidine-3-carboxamide

J009-0042 Screening compound: N-(2-ethoxyphenyl)-1-phenylmethanesulfonylpiperidine-3-carboxamide
J009-0042 Screening compound: N-(2-ethoxyphenyl)-1-phenylmethanesulfonylpiperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J009-0042
N-(2-ethoxyphenyl)-1-phenylmethanesulfonylpiperidine-3-carboxamide

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

J009-0042

Molecular Formula

C21H26N2O4S (C21 H26 N2 O4 S)

Compound Name

N-(2-ethoxyphenyl)-1-phenylmethanesulfonylpiperidine-3-carboxamide

IUPAC name

N-(2-ethoxyphenyl)-1-phenylmethanesulfonylpiperidine-3-carboxamide

SMILES

CCOc(cccc1)c1NC(C(CCC1)CN1S(Cc1ccccc1)(=O)=O)=O

InChI

InChI=1S/C21H26N2O4S/c1-2-27-20-13-7-6-12-19(20)22-21(24)18-11-8-14-23(15-18)28(25,26)16-17-9-4-3-5-10-17/h3-7,9-10,12-13,18H,2,8,11,14-16H2,1H3,(H,22,24)/t18-/m0/s1

InChI Key

JCOHKSWNYHCJMO-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27216284

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.754

Distribution Coefficient, logD

2.754

Water Solubility, LogSw

-3.27

Polar Surface Area

61.381

Acid Dissociation Constant (pKa)

10.85

Base Dissociation Constant (pKb)

0.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

J009-0042 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Epigenetic
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with J009-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J009-0042?
Check Price and Availability of J009-0042, 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 J009-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J009-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J009-0042
  • 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 J009-0042 available by request