D216-0288 Screening compound: 1-[1-(3,4-dimethoxybenzenesulfonyl)piperidin-4-yl]methanamine

D216-0288 Screening compound: 1-[1-(3,4-dimethoxybenzenesulfonyl)piperidin-4-yl]methanamine
D216-0288 Screening compound: 1-[1-(3,4-dimethoxybenzenesulfonyl)piperidin-4-yl]methanamine alternative view

Chemical Structure Depiction of ChemDiv screening compound D216-0288
1-[1-(3,4-dimethoxybenzenesulfonyl)piperidin-4-yl]methanamine

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

D216-0288

Molecular Formula

C14H22N2O4S (C14 H22 N2 O4 S)

Compound Name

1-[1-(3,4-dimethoxybenzenesulfonyl)piperidin-4-yl]methanamine

IUPAC name

1-[1-(34-dimethoxybenzenesulfonyl)piperidin-4-yl]methanamine

SMILES

COc(ccc(S(N1CCC(CN)CC1)(=O)=O)c1)c1OC

InChI

InChI=1S/C14H22N2O4S/c1-19-13-4-3-12(9-14(13)20-2)21(17,18)16-7-5-11(10-15)6-8-16/h3-4,9,11H,5-8,10,15H2,1-2H3

InChI Key

WONPRUKUQJVXQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13738228

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

314.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.581

Distribution Coefficient, logD

-2.674

Water Solubility, LogSw

-2.23

Polar Surface Area

68.871

Acid Dissociation Constant (pKa)

26.32

Base Dissociation Constant (pKb)

10.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

D216-0288 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D216-0288 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D216-0288?
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What is the minimum amount of D216-0288 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D216-0288
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D216-0288
  • 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 D216-0288 available by request