D207-0050 Screening compound: 1-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide

D207-0050 Screening compound: 1-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
D207-0050 Screening compound: 1-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D207-0050
1-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]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

D207-0050

Molecular Formula

C20H24N2O4S (C20 H24 N2 O4 S)

Compound Name

1-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide

IUPAC name

1-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide

SMILES

COc1cccc(CNC(C(CC2)CCN2S(c2ccccc2)(=O)=O)=O)c1

InChI

InChI=1S/C20H24N2O4S/c1-26-18-7-5-6-16(14-18)15-21-20(23)17-10-12-22(13-11-17)27(24,25)19-8-3-2-4-9-19/h2-9,14,17H,10-13,15H2,1H3,(H,21,23)

InChI Key

GGMYXBYQFKINHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03738791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.347

Distribution Coefficient, logD

2.347

Water Solubility, LogSw

-2.87

Polar Surface Area

63.906

Acid Dissociation Constant (pKa)

13.07

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

D207-0050 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with D207-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D207-0050?
Check Price and Availability of D207-0050, 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 D207-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D207-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D207-0050
  • 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 D207-0050 available by request