J005-0244 Screening compound: 2-(3-fluorophenyl)-1-methanesulfonylazepane

J005-0244 Screening compound: 2-(3-fluorophenyl)-1-methanesulfonylazepane
J005-0244 Screening compound: 2-(3-fluorophenyl)-1-methanesulfonylazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound J005-0244
2-(3-fluorophenyl)-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

J005-0244

Molecular Formula

C13H18FNO2S (C13 H18 FNO2 S)

Compound Name

2-(3-fluorophenyl)-1-methanesulfonylazepane

IUPAC name

2-(3-fluorophenyl)-1-methanesulfonylazepane

SMILES

CS(N(CCCCC1)C1c1cc(F)ccc1)(=O)=O

InChI

InChI=1S/C13H18FNO2S/c1-18(16,17)15-9-4-2-3-8-13(15)11-6-5-7-12(14)10-11/h5-7,10,13H,2-4,8-9H2,1H3/t13-/m0/s1

InChI Key

QUMIHPMMRALBKW-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD27215294

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.36

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

2.827

Distribution Coefficient, logD

2.827

Water Solubility, LogSw

-3.15

Polar Surface Area

32.244

Acid Dissociation Constant (pKa)

24.48

Base Dissociation Constant (pKb)

-6.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.80

J005-0244 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

CNS MPO Library (28609 compounds)

Fragments Library (11262 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
Targets:
  • Kinases
Structure:
  • Fragments
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with J005-0244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J005-0244?
Check Price and Availability of J005-0244, 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 J005-0244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J005-0244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J005-0244
  • 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 J005-0244 available by request