J005-0243 Screening compound: 2-(2-chlorophenyl)-1-methanesulfonylazepane

J005-0243 Screening compound: 2-(2-chlorophenyl)-1-methanesulfonylazepane
J005-0243 Screening compound: 2-(2-chlorophenyl)-1-methanesulfonylazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound J005-0243
2-(2-chlorophenyl)-1-methanesulfonylazepane

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

J005-0243

Molecular Formula

C13H18ClNO2S (C13 H18 ClNO2 S)

Compound Name

2-(2-chlorophenyl)-1-methanesulfonylazepane

IUPAC name

2-(2-chlorophenyl)-1-methanesulfonylazepane

SMILES

CS(N(CCCCC1)C1c(cccc1)c1Cl)(=O)=O

InChI

InChI=1S/C13H18ClNO2S/c1-18(16,17)15-10-6-2-3-9-13(15)11-7-4-5-8-12(11)14/h4-5,7-8,13H,2-3,6,9-10H2,1H3/t13-/m0/s1

InChI Key

RPPAJZDGQKYSMW-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD27215293

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.81

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.350

Distribution Coefficient, logD

3.350

Water Solubility, LogSw

-3.52

Polar Surface Area

32.244

Acid Dissociation Constant (pKa)

24.48

Base Dissociation Constant (pKb)

-6.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.80

J005-0243 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J005-0243 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J005-0243?
Check Price and Availability of J005-0243, 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 J005-0243 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J005-0243
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J005-0243
  • 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 J005-0243 available by request