D216-0136 Screening compound: N-[1-(4-methoxybenzenesulfonyl)piperidin-4-yl]morpholine-4-carboxamide

D216-0136 Screening compound: N-[1-(4-methoxybenzenesulfonyl)piperidin-4-yl]morpholine-4-carboxamide
D216-0136 Screening compound: N-[1-(4-methoxybenzenesulfonyl)piperidin-4-yl]morpholine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D216-0136
N-[1-(4-methoxybenzenesulfonyl)piperidin-4-yl]morpholine-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

D216-0136

Molecular Formula

C17H25N3O5S (C17 H25 N3 O5 S)

Compound Name

N-[1-(4-methoxybenzenesulfonyl)piperidin-4-yl]morpholine-4-carboxamide

IUPAC name

N-[1-(4-methoxybenzenesulfonyl)piperidin-4-yl]morpholine-4-carboxamide

SMILES

COc(cc1)ccc1S(N(CC1)CCC1NC(N1CCOCC1)=O)(=O)=O

InChI

InChI=1S/C17H25N3O5S/c1-24-15-2-4-16(5-3-15)26(22,23)20-8-6-14(7-9-20)18-17(21)19-10-12-25-13-11-19/h2-5,14H,6-13H2,1H3,(H,18,21)

InChI Key

KDOJWCREPKVPTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02187421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.248

Distribution Coefficient, logD

1.248

Water Solubility, LogSw

-2.43

Polar Surface Area

73.726

Acid Dissociation Constant (pKa)

17.65

Base Dissociation Constant (pKb)

2.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.80

D216-0136 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Dark Chemical Matter Library (18430 compounds)

GPCR Targeted Library (31838 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Pool
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D216-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D216-0136?
Check Price and Availability of D216-0136, 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 D216-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D216-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D216-0136
  • 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 D216-0136 available by request