5079-0558 Screening compound: 1-(3,4-dimethoxybenzenesulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide

5079-0558 Screening compound: 1-(3,4-dimethoxybenzenesulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
5079-0558 Screening compound: 1-(3,4-dimethoxybenzenesulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5079-0558
1-(3,4-dimethoxybenzenesulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide

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

5079-0558

Molecular Formula

C24H32N2O7S (C24 H32 N2 O7 S)

Compound Name

1-(3,4-dimethoxybenzenesulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide

IUPAC name

1-(34-dimethoxybenzenesulfonyl)-N-[2-(34-dimethoxyphenyl)ethyl]piperidine-4-carboxamide

SMILES

COc(ccc(CCNC(C(CC1)CCN1S(c(cc1)cc(OC)c1OC)(=O)=O)=O)c1)c1OC

InChI

InChI=1S/C24H32N2O7S/c1-30-20-7-5-17(15-22(20)32-3)9-12-25-24(27)18-10-13-26(14-11-18)34(28,29)19-6-8-21(31-2)23(16-19)33-4/h5-8,15-16,18H,9-14H2,1-4H3,(H,25,27)

InChI Key

STWDCFLHQALYKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03448345

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.732

Distribution Coefficient, logD

1.732

Water Solubility, LogSw

-2.58

Polar Surface Area

86.726

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

-0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

5079-0558 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 5079-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5079-0558?
Check Price and Availability of 5079-0558, 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 5079-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5079-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5079-0558
  • 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 5079-0558 available by request