SC13-0561 Screening compound: N,N-dimethyl-3-{N-[(pyridin-3-yl)methyl]methanesulfonamido}piperidine-1-sulfonamide

SC13-0561 Screening compound: N,N-dimethyl-3-{N-[(pyridin-3-yl)methyl]methanesulfonamido}piperidine-1-sulfonamide
SC13-0561 Screening compound: N,N-dimethyl-3-{N-[(pyridin-3-yl)methyl]methanesulfonamido}piperidine-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC13-0561
N,N-dimethyl-3-{N-[(pyridin-3-yl)methyl]methanesulfonamido}piperidine-1-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

SC13-0561

Molecular Formula

C14H24N4O4S2 (C14 H24 N4 O4 S2)

Compound Name

N,N-dimethyl-3-{N-[(pyridin-3-yl)methyl]methanesulfonamido}piperidine-1-sulfonamide

IUPAC name

NN-dimethyl-3-{N-[(pyridin-3-yl)methyl]methanesulfonamido}piperidine-1-sulfonamide

SMILES

CN(C)S(N(CCC1)CC1N(Cc1cnccc1)S(C)(=O)=O)(=O)=O

InChI

InChI=1S/C14H24N4O4S2/c1-16(2)24(21,22)17-9-5-7-14(12-17)18(23(3,19)20)11-13-6-4-8-15-10-13/h4,6,8,10,14H,5,7,9,11-12H2,1-3H3/t14-/m0/s1

InChI Key

NXJBZLRRXLGWFY-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD32255615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.5

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.392

Distribution Coefficient, logD

-0.392

Water Solubility, LogSw

-1.23

Polar Surface Area

76.718

Acid Dissociation Constant (pKa)

24.48

Base Dissociation Constant (pKb)

3.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

64.29

SC13-0561 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SC13-0561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC13-0561?
Check Price and Availability of SC13-0561, 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 SC13-0561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC13-0561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC13-0561
  • 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 SC13-0561 available by request