D216-0648 Screening compound: N-(2,5-diethoxyphenyl)-1-(4-methylbenzenesulfonyl)piperidine-3-carboxamide

D216-0648 Screening compound: N-(2,5-diethoxyphenyl)-1-(4-methylbenzenesulfonyl)piperidine-3-carboxamide
D216-0648 Screening compound: N-(2,5-diethoxyphenyl)-1-(4-methylbenzenesulfonyl)piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D216-0648
N-(2,5-diethoxyphenyl)-1-(4-methylbenzenesulfonyl)piperidine-3-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

D216-0648

Molecular Formula

C23H30N2O5S (C23 H30 N2 O5 S)

Compound Name

N-(2,5-diethoxyphenyl)-1-(4-methylbenzenesulfonyl)piperidine-3-carboxamide

IUPAC name

N-(25-diethoxyphenyl)-1-(4-methylbenzenesulfonyl)piperidine-3-carboxamide

SMILES

CCOc(cc1)cc(NC(C(CCC2)CN2S(c2ccc(C)cc2)(=O)=O)=O)c1OCC

InChI

InChI=1S/C23H30N2O5S/c1-4-29-19-10-13-22(30-5-2)21(15-19)24-23(26)18-7-6-14-25(16-18)31(27,28)20-11-8-17(3)9-12-20/h8-13,15,18H,4-7,14,16H2,1-3H3,(H,24,26)/t18-/m0/s1

InChI Key

HHHKSVMRDCECTF-SFHVURJKSA-N

MDL Number (MFCD)

MFCD03128691

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.877

Distribution Coefficient, logD

3.867

Water Solubility, LogSw

-3.77

Polar Surface Area

68.610

Acid Dissociation Constant (pKa)

9.05

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

D216-0648 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

Protein Arginine Methyltransferases Library (27925 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
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D216-0648 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D216-0648?
Check Price and Availability of D216-0648, 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 D216-0648 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D216-0648
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D216-0648
  • 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 D216-0648 available by request