J500-0589 Screening compound: N~2~,N~2~-dimethyl-4-[(4-methylpiperazino)carbonyl]-2-azaspiro[4.4]nonane-2-sulfonamide

J500-0589 Screening compound: N~2~,N~2~-dimethyl-4-[(4-methylpiperazino)carbonyl]-2-azaspiro[4.4]nonane-2-sulfonamide
J500-0589 Screening compound: N~2~,N~2~-dimethyl-4-[(4-methylpiperazino)carbonyl]-2-azaspiro[4.4]nonane-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J500-0589
N~2~,N~2~-dimethyl-4-[(4-methylpiperazino)carbonyl]-2-azaspiro[4.4]nonane-2-sulfonamide

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

J500-0589

Molecular Formula

C16H30N4O3S (C16 H30 N4 O3 S)

Compound Name

N~2~,N~2~-dimethyl-4-[(4-methylpiperazino)carbonyl]-2-azaspiro[4.4]nonane-2-sulfonamide

IUPAC name

NN-dimethyl-4-(4-methylpiperazine-1-carbonyl)-2-azaspiro[4.4]nonane-2-sulfonamide

SMILES

CN(C)S(N(C1)CC2(CCCC2)C1C(N1CCN(C)CC1)=O)(=O)=O

InChI

InChI=1S/C16H30N4O3S/c1-17(2)24(22,23)20-12-14(16(13-20)6-4-5-7-16)15(21)19-10-8-18(3)9-11-19/h14H,4-13H2,1-3H3/t14-/m0/s1

InChI Key

DGKBTBWHFUMORK-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD32223809

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.201

Distribution Coefficient, logD

-0.549

Water Solubility, LogSw

-1.05

Polar Surface Area

56.952

Acid Dissociation Constant (pKa)

25.36

Base Dissociation Constant (pKb)

7.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

93.75

J500-0589 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with J500-0589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J500-0589?
Check Price and Availability of J500-0589, 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 J500-0589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J500-0589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J500-0589
  • 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 J500-0589 available by request