J005-0447 Screening compound: 2-(3-methylphenyl)-1-phenylmethanesulfonylazepane

J005-0447 Screening compound: 2-(3-methylphenyl)-1-phenylmethanesulfonylazepane
J005-0447 Screening compound: 2-(3-methylphenyl)-1-phenylmethanesulfonylazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound J005-0447
2-(3-methylphenyl)-1-phenylmethanesulfonylazepane

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

J005-0447

Molecular Formula

C20H25NO2S (C20 H25 NO2 S)

Compound Name

2-(3-methylphenyl)-1-phenylmethanesulfonylazepane

IUPAC name

2-(3-methylphenyl)-1-phenylmethanesulfonylazepane

SMILES

Cc1cccc(C(CCCCC2)N2S(Cc2ccccc2)(=O)=O)c1

InChI

InChI=1S/C20H25NO2S/c1-17-9-8-12-19(15-17)20-13-6-3-7-14-21(20)24(22,23)16-18-10-4-2-5-11-18/h2,4-5,8-12,15,20H,3,6-7,13-14,16H2,1H3/t20-/m0/s1

InChI Key

BJJHZXUBSDJTGY-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27215325

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.563

Distribution Coefficient, logD

4.563

Water Solubility, LogSw

-4.33

Polar Surface Area

32.374

Acid Dissociation Constant (pKa)

20.60

Base Dissociation Constant (pKb)

-6.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

J005-0447 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators
Agro:
  • Agro
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J005-0447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J005-0447?
Check Price and Availability of J005-0447, 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 J005-0447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J005-0447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J005-0447
  • 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 J005-0447 available by request