E216-5552 Screening compound: 1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)-N-[3-(piperidin-1-yl)propyl]piperidine-4-carboxamide

E216-5552 Screening compound: 1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)-N-[3-(piperidin-1-yl)propyl]piperidine-4-carboxamide
E216-5552 Screening compound: 1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)-N-[3-(piperidin-1-yl)propyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E216-5552
1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)-N-[3-(piperidin-1-yl)propyl]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

E216-5552

Molecular Formula

C25H38N4O3 (C25 H38 N4 O3)

Compound Name

1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)-N-[3-(piperidin-1-yl)propyl]piperidine-4-carboxamide

IUPAC name

1-(2-ethyl-34-dihydro-2H-14-benzoxazine-4-carbonyl)-N-[3-(piperidin-1-yl)propyl]piperidine-4-carboxamide

SMILES

CCC(C1)Oc(cccc2)c2N1C(N(CC1)CCC1C(NCCCN1CCCCC1)=O)=O

InChI

InChI=1S/C25H38N4O3/c1-2-21-19-29(22-9-4-5-10-23(22)32-21)25(31)28-17-11-20(12-18-28)24(30)26-13-8-16-27-14-6-3-7-15-27/h4-5,9-10,20-21H,2-3,6-8,11-19H2,1H3,(H,26,30)/t21-/m1/s1

InChI Key

MLEXSWFDFCVMLO-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD14848345

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.900

Distribution Coefficient, logD

0.245

Water Solubility, LogSw

-3.17

Polar Surface Area

52.837

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

10.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.00

E216-5552 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

GPCR Targeted Library (31838 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
Targets:
  • GPCR
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E216-5552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E216-5552?
Check Price and Availability of E216-5552, 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 E216-5552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E216-5552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E216-5552
  • 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 E216-5552 available by request